SCHEMBL12501358

SCHEMBL12501358

COC(=O)c1sc2cc(N)ccc2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.56
▸ RXFP1 Q9HBX9 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ PRNP P04156 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PPARG P37231 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ NCOA2 Q15596 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MAPT P10636 7/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ GAA P10253 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ GLA P06280 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ MCL1 Q07820 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ BCL2L1 Q07817 1/20 0.49

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
SCHEMBL5023563 0.84 MCL1 (0.70) MAPK1RXFP1HTTPRNPTSHR
SCHEMBL8412494 0.84 NPSR1 (0.74) MAPK1RXFP1HTTPRNPTSHR
SCHEMBL693146 0.82 BCKDK (0.68) MAPK1RXFP1HTTPRNPTSHR
SCHEMBL12325629 0.82 MAPT (0.55) MAPK1RXFP1HTTPRNPTSHR
SCHEMBL5038192 0.81 MAPT (0.65) MAPK1RXFP1HTTPRNPTSHR
SCHEMBL2431312 0.79 MAPT (0.52) MAPK1RXFP1HTTPRNPTSHR
SCHEMBL12325628 0.79 MAPT (0.52) MAPK1RXFP1HTTPRNPTSHR
SCHEMBL4386528 0.78 LMNA (0.69) MAPK1RXFP1MAPTKDM4EALDH1A1
SCHEMBL1609028 0.77 STING1 (0.63) MAPK1RXFP1HTTPRNPTSHR
SCHEMBL8142110 0.77 KDM4E (0.64) MAPK1RXFP1HTTPRNPTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 — — EP disclosed
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
EP-2668177-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 — — EP disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 — — US disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 — — WO 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-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS ADORA1, P2RY1, P2RY11 MAPK1 1897/4885RXFP1 1072/4885HTT 4752/4885

“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.

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