SCHEMBL12320198

SCHEMBL12320198

Cn1ccnc1-c1cccc(-c2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA3 P34903 1/20 0.52
CYP2A6 P11509 9/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2A13 Q16696 1/20 0.49
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
NMT1 P30419 1/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2E1 P05181 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
EPHX2 P34913 1/20 0.44
PRMT6 Q96LA8 1/20 0.44

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
SCHEMBL12320458 0.89 CYP2A6 (0.56) CYP2A6ALDH1A1CYP2A13CYP3A4CYP1A2
SCHEMBL31700259 0.89 CYP2A6 (0.56) CYP2A6ALDH1A1CYP2A13CYP3A4CYP1A2
SCHEMBL14412223 0.87 NMT1 (0.52) NMT1CDK8
SCHEMBL17264894 0.85 NMT1 (0.52) NMT1CDK8
SCHEMBL12277415 0.82 MAP3K5 (0.51) GABRG2GABRB3GABRA3CYP2A6ALDH1A1
SCHEMBL12759448 0.80 TGFBR1 (0.48) ALDH1A1MEN1NMT1FLT1KDR
SCHEMBL30620885 0.77 CYP2A6 (0.79) CYP2A6ALDH1A1MKNK1MKNK2MEN1
SCHEMBL12103445 0.77 CYP2A6 (0.79) CYP2A6ALDH1A1MKNK1MKNK2MEN1
SCHEMBL17951830 0.77 CYP2A6 (0.79) CYP2A6ALDH1A1MKNK1MKNK2MEN1
SCHEMBL19009230 0.76 NPY5R (0.58) GABRG2GABRB3GABRA3CYP2A6ALDH1A1

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-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 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 (3 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E GABRG2 4145/4885GABRB3 3842/4885GABRA3 3938/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E GABRG2 4194/4885GABRB3 3946/4885GABRA3 3999/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E GABRG2 4194/4885GABRB3 3946/4885GABRA3 3999/4885

“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.