SCHEMBL3102301

SCHEMBL3102301

CCOC(=O)c1cc(CC)n(Cc2ccc(C)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP19A1 P11511 1/20 0.46
POLB P06746 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CA9 Q16790 1/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
P2RY14 Q15391 1/20 0.41

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
SCHEMBL15956989 0.86 MEN1 (0.57) LMNANPC1SMN1; SMN2TDP1MAPT
SCHEMBL3094695 0.85 P2RY14 (0.55) MEN1KMT2AP2RY14
SCHEMBL1234207 0.82 MAPT (0.45) TDP1MAPTALDH1A1POLBMEN1
SCHEMBL22412886 0.80 MAPT (0.53) NPC1SMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL651394 0.80 CYP19A1 (0.46) LMNANPC1SMN1; SMN2TDP1MAPT
SCHEMBL1233602 0.79 CYP1A2 (0.42) TDP1MAPTPOLBKMT2AGABRA2
SCHEMBL1232342 0.78 SMN1; SMN2 (0.53) LMNASMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL3380852 0.77 MAPT (0.46) LMNANPC1SMN1; SMN2TDP1MAPT
SCHEMBL1231889 0.77 CNR2 (0.42) MAPTKMT2AKDM4E
SCHEMBL29699814 0.76 MEN1 (0.61) SMN1; SMN2MAPTCYP19A1POLBMEN1

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-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
EP-2148877-A2 INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed
WO-2008141731-A2 INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE AG (DE) 2008-11-27 WO disclosed
WO-2008141731-A2 INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE AG (DE) 2008-11-27 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-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS FLT4, VEGFA, MKI67 LMNA 4168/4885NPC1 1028/4885SMN1; SMN2 4335/4885

“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.