SCHEMBL6170217

SCHEMBL6170217

Cc1nc2ccc(C(=O)NCc3ccccn3)cc2n1Cc1ccccc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.51
NAMPT P43490 1/20 0.48
PDE2A O00408 1/20 0.47
PIK3CA P42336 1/20 0.46
KDM4E B2RXH2 2/20 0.46
CA2 P00918 1/20 0.45
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
PRNP P04156 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL6169021 0.86 KDM4E (0.54) NAMPTPDE2APIK3CAKDM4EKMT2A
SCHEMBL6168857 0.84 NAMPT (0.56) NAMPTPDE2APIK3CAKDM4EKMT2A
SCHEMBL6168600 0.84 PDE2A (0.60) NAMPTPDE2APIK3CAKDM4ECYP1A2
SCHEMBL6170298 0.84 PPARG (0.58) RORCNAMPTPDE2APIK3CAKDM4E
SCHEMBL6168854 0.83 RORC (0.45) RORCRAB9ANPC1HSD17B10PPARG
SCHEMBL6168971 0.83 TP53 (0.56) NAMPTPDE2APIK3CAKDM4EKMT2A
SCHEMBL6169569 0.82 EPHX2 (0.58) NAMPTPDE2APIK3CAKDM4EKMT2A
SCHEMBL6169739 0.82 PDE2A (0.49) NAMPTPDE2APIK3CAKDM4EKMT2A
SCHEMBL6171036 0.82 KMT2A (0.60) RORCNAMPTPDE2AKDM4EKMT2A
SCHEMBL6170170 0.81 ALDH1A1 (0.53) NAMPTPDE2APIK3CAKDM4EKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 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 (1 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 RORC 2268/4885NAMPT 123/4885PDE2A 3774/4885

“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.