SCHEMBL861028

SCHEMBL861028

O=Cc1cnn2ccc(Nc3cccc(Cl)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
ROCK1 Q13464 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
PIM2 Q9P1W9 7/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL860486 0.85 FYN (0.42) PIM1SMN1; SMN2MAPTFYN
SCHEMBL861675 0.83 TYK2 (0.47) PIM1PIM2JAK2JAK1TYK2
SCHEMBL12978737 0.81 CSNK2B (0.46) PIM1NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL861026 0.81 CSNK2B (0.46) PIM1NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL861027 0.81 CSNK2B (0.46) PIM1NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL861733 0.80 FYN (0.44) PIM1JAK2JAK1TYK2JAK3
SCHEMBL861602 0.80 CSNK2A2 (0.53) PIM1CYP3A4JAK2JAK1TYK2
SCHEMBL12978888 0.80 PIM1 (0.37) PIM1NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL860115 0.80 PIM1 (0.37) PIM1NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL14679082 0.80 PIM1 (0.39) PIM1NPC1RAB9ASMN1; SMN2NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
EP-2475652-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS Cylene Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
EP-2432473-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
WO-2011031979-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS INC. (US) 2011-03-17 WO disclosed
WO-2011031979-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS INC. (US) 2011-03-17 WO disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
WO-2010135581-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
WO-2010135581-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 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 (2 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-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS PIM2, PIM1, PIM3 PIM1 2/4885NPC1 3963/4885RAB9A 3706/4885
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM1, PIM2, PIM3 PIM1 1/4885NPC1 3761/4885RAB9A 4308/4885

“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.