SCHEMBL9909108

SCHEMBL9909108

CC1=C(C#N)[C@@H](C)C(C#N)=C(c2ccc(-c3ccccc3)cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 7/20 0.42
MET P08581 2/20 0.39
DRD5 P21918 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
HIF1A Q16665 1/20 0.36
HTT P42858 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 4/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 3/20 0.35

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
SCHEMBL14155609 0.97 MAPT (0.46) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9909073 0.97 MAPT (0.46) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL11787613 0.86 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9909075 0.84 KDM4E (0.42) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9909092 0.84 MET (0.53) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9909107 0.84 MET (0.42) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL14155635 0.84 MET (0.42) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL14155664 0.83 AR (0.38) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9906927 0.83 MET (0.44) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9909106 0.81 KDM4E (0.47) MAPTALDH1A1SMN1; SMN2HPGDKDM4E

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 2 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-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 MAPT 1550/4885ALDH1A1 1341/4885SMN1; SMN2 1841/4885

“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.