SCHEMBL9906905

SCHEMBL9906905

Cc1cccc(C(=O)NCCCn2ccnc2)n1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 4/20 0.61
CYP19A1 P11511 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 2/20 0.60
NAMPT P43490 1/20 0.60
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58
RAB9A P51151 2/20 0.57
HTT P42858 1/20 0.57
HIF1A Q16665 1/20 0.57
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL12469106 0.86 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL30765062 0.83 OPRK1 (0.66) ALDH1A1SMN1; SMN2NPC1NAMPTLMNA
SCHEMBL27176275 0.83 OPRK1 (0.66) ALDH1A1SMN1; SMN2NPC1NAMPTLMNA
SCHEMBL10920342 0.81 SMN1; SMN2 (0.64) MEN1KMT2AALDH1A1CYP19A1SMN1; SMN2
SCHEMBL12469464 0.79 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1CYP19A1SMN1; SMN2
SCHEMBL14552420 0.79 MEN1 (0.83) MEN1KMT2AALDH1A1CYP19A1SMN1; SMN2
SCHEMBL10923056 0.78 MEN1 (0.61) MEN1KMT2ASMN1; SMN2NPC1LMNA
SCHEMBL21098369 0.78 SMN1; SMN2 (0.89) MEN1KMT2AALDH1A1CYP19A1SMN1; SMN2
SCHEMBL4994649 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1CYP19A1SMN1; SMN2
SCHEMBL14552329 0.78 SMN1; SMN2 (0.66) MEN1KMT2AALDH1A1CYP19A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US 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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET MEN1 402/4885KMT2A 1709/4885ALDH1A1 1341/4885

“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.