SCHEMBL3246330

SCHEMBL3246330

O=c1nc(Cl)[nH]c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.53
PARP1 P09874 1/20 0.53
FEN1 P39748 1/20 0.47
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
AURKB Q96GD4 1/20 0.42
LOXL3 P58215 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
PDK2 Q15119 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DAO P14920 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL15775287 0.79 TNKS (0.51) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL27126271 0.76 AURKA (0.47) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL15776205 0.76 ADORA2A (0.55) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL3058184 0.75 METAP2 (0.58) AURKAPARP1MAPTKMT2AALDH1A1
SCHEMBL1699249 0.75 ALDH1A1 (0.41) AURKAPARP1MEN1KMT2ADAO
SCHEMBL29573599 0.75 ALDH1A1 (0.41) AURKAPARP1MEN1KMT2ADAO
SCHEMBL829772 0.73 AURKA (0.51) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL20954965 0.73 HCAR2 (0.59) AURKAPARP1
SCHEMBL15775972 0.73 TNKS (0.51) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL9706231 0.73 PARP1 (0.54) AURKAPARP1FEN1MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 AURKA 2453/4885PARP1 1107/4885FEN1 2681/4885

“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.