SCHEMBL1875421

SCHEMBL1875421

Cc1cccc2cc(C(C)c3nc(N)nc(N)n3)c(-c3cccnc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.40
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 1/20 0.37
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
PSIP1 O75475 1/20 0.35
AXL P30530 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
CDK5 Q00535 1/20 0.34

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
SCHEMBL1883325 0.87 ATM (0.42) KDM4ELMNANPSR1SMN1; SMN2TSHR
SCHEMBL1882469 0.82 TLR8 (0.35) CYP2A6KDM4ELMNAHTTNPSR1
SCHEMBL1883991 0.81 CYP2A6 (0.46) CYP2A6KDM4ELMNAHTTNPSR1
SCHEMBL1883922 0.81 CYP2A6 (0.46) CYP2A6KDM4ELMNAHTTNPSR1
SCHEMBL1878946 0.81 CYP2A6 (0.46) CYP2A6KDM4ELMNAHTTNPSR1
SCHEMBL1890692 0.81 FGFR1 (0.35) ADORA2AATMAXLPIK3CD
SCHEMBL1881117 0.80 ATM (0.48) ADORA2AATMMAPTPIK3CDMAPK1
SCHEMBL1881740 0.80 ADORA2A (0.36) CYP2A6SMN1; SMN2ADORA2AADORA1ATM
SCHEMBL1886844 0.79 PIK3CD (0.41) CYP2A6KDM4ELMNAHTTNPSR1
SCHEMBL1877108 0.79 PIK3CD (0.41) CYP2A6KDM4ELMNAHTTNPSR1

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
EP-2231641-B1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-06-01 EP disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE CYP2A6 2275/4885KDM4E 2230/4885LMNA 4352/4885

“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.