SCHEMBL10212438

SCHEMBL10212438

[C-]#[N+]C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc2[nH]nc(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.43
KDM4E B2RXH2 12/20 0.43
ALDH1A1 P00352 7/20 0.41
GAA P10253 5/20 0.41
HPGD P15428 4/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP1 P29466 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP7 P55210 2/20 0.39
HTT P42858 1/20 0.39
ABCC9 O60706 3/20 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
SCHEMBL10212439 0.94 MET (0.44) METKDM4EALDH1A1GAAHPGD
SCHEMBL10212427 0.83 MET (0.44) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL561816 0.83 KDM4E (0.62) METKDM4EALDH1A1GAAHPGD
SCHEMBL10212419 0.82 MET (0.45) METKDM4EALDH1A1ABCC9ABCC8
SCHEMBL10212433 0.79 MET (0.44) MET
SCHEMBL10212436 0.78 MET (0.43) METABCC9ABCC8KCNJ11KCNJ8
SCHEMBL561146 0.77 KDM4E (0.53) METKDM4EALDH1A1GAAHPGD
SCHEMBL10212425 0.76 MET (0.43) MET
SCHEMBL10212445 0.76 MET (0.43) METKDM4EABCC9ABCC8KCNJ11
SCHEMBL9906876 0.75 MET (0.53) METKDM4EALDH1A1HPGDMAPT

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-8759341-B2 Bi- and tricyclic indazole-substituted 1,4-dihydropyridine derivatives and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-24 US disclosed
US-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 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-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF MET, RET, ERBB2 MET 1/4885KDM4E 1206/4885ALDH1A1 916/4885

“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.