SCHEMBL14770519

SCHEMBL14770519

COc1ccc(C(C)c2nc3cc(Cl)cnc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
BRS3 P32247 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 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
SCHEMBL14770511 0.86 MEN1 (0.44) MAPK1CCNB2CDK1CCNB1GSK3A
SCHEMBL14770635 0.85 DYRK1B (0.38) MAPK1CCNB2CDK1CCNB1GSK3A
SCHEMBL14770631 0.85 GSK3A (0.36) MAPK1CCNB2CDK1CCNB1GSK3A
SCHEMBL14770522 0.82 NPC1 (0.37) MAPK1ALOX5
SCHEMBL14770550 0.82 FLT3 (0.40) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL14770524 0.81 APP (0.40)
SCHEMBL14770520 0.78 BRS3 (0.38) MAPK1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL14770549 0.76 ALDH1A1 (0.42) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL14770674 0.73 SMN1; SMN2 (0.56) PTGESALOX5LTC4SMEN1KMT2A
SCHEMBL14770630 0.73 AMY1A (0.42) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6

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-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A MAPK1 2854/4885CYP1A2 2887/4885CYP2E1 2174/4885

“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.