SCHEMBL740822

SCHEMBL740822

Oc1nc(SCc2ccccc2)nc2nc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.56
POLB P06746 1/20 0.56
CDC7 O00311 2/20 0.53
DBF4 Q9UBU7 2/20 0.53
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TOP2A P11388 1/20 0.46
HPGD P15428 1/20 0.46
NUDT1 P36639 1/20 0.46
HIF1A Q16665 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL741057 0.83 PIN1 (0.56) PIN1POLBCDC7DBF4CYP1A2
SCHEMBL21385377 0.81 CYP1A2 (0.66) POLBCDC7DBF4CYP1A2CYP3A4
SCHEMBL15759317 0.80 PIN1 (0.64) PIN1POLBCDC7DBF4CYP1A2
Chloroform SCHEMBL743258 0.80 PIN1 (0.53) PIN1POLBCDC7DBF4CYP1A2
SCHEMBL3002688 0.79 POLB (0.52) PIN1POLBCDC7DBF4HPGD
SCHEMBL5998044 0.78 ADORA3 (0.55) PIN1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL2996508 0.78 HSD17B10 (0.45) PIN1POLBCDC7DBF4CYP1A2
SCHEMBL16146158 0.75 PDE4A (0.64) PIN1POLBCDC7DBF4CYP1A2
SCHEMBL3907002 0.75 CDK1 (0.48) PIN1POLBCDC7DBF4CYP1A2
SCHEMBL30578627 0.74 POLB (0.49) PIN1POLBCDC7DBF4HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10463639-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-11-05 US disclosed
US-10420738-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-09-24 US disclosed
US-10398665-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2019-09-03 US disclosed
US-20160113896-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-04-28 US disclosed
US-20160113896-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-04-28 US disclosed
US-20160101107-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-04-14 US disclosed
US-20160101107-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-04-14 US disclosed
US-20160095869-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-04-07 US disclosed
US-20160095869-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-04-07 US disclosed
US-20160000778-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION INSTYTUT BIOCHEMII I BIOFIZYKI PAN (PL) 2016-01-07 US disclosed
EP-0601092-B2 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD SYNGENTA PARTICIPATIONS AG (CH) 2006-11-15 EP disclosed
EP-0423805-B1 Condensed purine derivatives KYOWA HAKKO KOGYO KK (JP) 2000-08-23 EP disclosed
US-5994629-A Positive selection NOVARTIS AG (CH) 1999-11-30 US disclosed
EP-0601092-B1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD NOVARTIS AG (CH) 1999-07-07 EP disclosed
EP-0896063-A2 Method for the selection of genetically transformed cells and compounds for use in the method Novartis AG (CH) 1999-02-10 EP disclosed
EP-0601092-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD Novartis AG (CH) 1994-06-15 EP disclosed
US-5270316-A Condensed purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-12-14 US disclosed
WO-1993005163-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD SANDOZ LTD. (CH) 1993-03-18 WO disclosed
EP-0530129-A1 Method for the selection of genetically transformed cells and compounds for use in the method SANDOZ LTD. (CH) 1993-03-03 EP disclosed
EP-0423805-A2 Condensed purine derivatives KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1991-04-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10398665-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction CFTR, TMEM161A, TMEM120A PIN1 3856/4885POLB 2912/4885CDC7 4577/4885
US-10420738-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction CFTR, TMEM161A, TCOF1 PIN1 3094/4885POLB 2603/4885CDC7 4184/4885
US-20160101107-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION CFTR, TMEM161A, TCOF1 PIN1 3094/4885POLB 2603/4885CDC7 4184/4885
US-20160113896-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION CFTR, TMEM161A, TCOF1 PIN1 3094/4885POLB 2603/4885CDC7 4184/4885
US-20160095869-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION CFTR, TMEM161A, TMEM120A PIN1 3856/4885POLB 2912/4885CDC7 4577/4885
US-10463639-B2 Compounds as modulators of a mutant CFTR protein and their use for treating diseases associated with CFTR protein malfunction CFTR, TMEM161A, TCOF1 PIN1 3094/4885POLB 2603/4885CDC7 4184/4885
US-20160000778-A1 COMPOUNDS AS MODULATORS OF A MUTANT CFTR PROTEIN AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH CFTR PROTEIN MALFUNCTION CFTR, TMEM161A, TMEM120A PIN1 3856/4885POLB 2912/4885CDC7 4577/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.