SCHEMBL2321708

SCHEMBL2321708

Cc1sc(CO)nc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
OPRK1 P41145 1/20 0.60
HSD17B10 Q99714 2/20 0.51
ALOX5 P09917 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAOA P21397 7/20 0.49
MAOB P27338 7/20 0.49
RARA P10276 2/20 0.49
RARB P10826 2/20 0.49
RARG P13631 2/20 0.49
HTR7 P34969 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GSTO1 P78417 1/20 0.46
XIAP P98170 1/20 0.44

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
SCHEMBL7486033 0.83 ALDH1A1 (0.51) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL6971020 0.82 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL12844164 0.81 ALDH1A1 (0.55) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL12775968 0.79 ALDH1A1 (0.54) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL14736417 0.79 ALDH1A1 (0.54) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL15728787 0.79 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10AR
SCHEMBL14736416 0.79 ALDH1A1 (0.53) ALDH1A1MEN1MAPTKMT2AOPRK1
Hydrochloric Acid SCHEMBL14736655 0.78 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL2226979 0.78 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AOPRK1
SCHEMBL18134384 0.78 XIAP (0.48) ALDH1A1MEN1MAPTKMT2AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 US disclosed
US-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 US disclosed
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
CN-102239164-B 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC 2013-10-30 CN disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
CN-102239164-A 2h-chromene compound and derivative thereof ASTELLAS PHARMA INC 2011-11-09 CN disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 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 (3 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-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP ALDH1A1 3113/4885MEN1 3667/4885MAPT 544/4885
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 ALDH1A1 2201/4885MEN1 1528/4885MAPT 4495/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 ALDH1A1 2294/4885MEN1 2001/4885MAPT 4479/4885

“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.