SCHEMBL5013567

SCHEMBL5013567

COc1nc(C)ccc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.54
PARP1 P09874 3/20 0.49
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 4/20 0.43
IKBKB O14920 1/20 0.41
LIMK1 P53667 1/20 0.41
CDC7 O00311 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
CASP1 P29466 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL29903108 1.00 NNMT (0.54) NNMTPARP1POLBTDP1KDM4E
SCHEMBL5780074 0.83 POLB (0.68) NNMTPOLBTDP1KDM4EALDH1A1
SCHEMBL30989958 0.83 POLB (0.68) NNMTPOLBTDP1KDM4EALDH1A1
SCHEMBL2027363 0.81 PDCD1 (0.52) POLBTDP1KDM4EALDH1A1GLA
SCHEMBL20524577 0.81 POLB (0.47) NNMTPARP1POLBTDP1KDM4E
SCHEMBL5010608 0.81 POLB (0.71) NNMTPOLBTDP1ALDH1A1HPGD
SCHEMBL428407 0.80 NNMT (0.53) NNMTPARP1POLBTDP1KDM4E
SCHEMBL29361411 0.80 NNMT (0.49) NNMTPOLBTDP1KDM4ECDC7
SCHEMBL2527039 0.80 NNMT (0.49) NNMTPOLBTDP1KDM4ECDC7
SCHEMBL13035848 0.79 PLK1 (0.45) POLBTDP1KDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-11440913-B2 Aminoimidazopyridazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-13 US disclosed
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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 (2 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-11440913-B2 Aminoimidazopyridazines as kinase inhibitors RIPK1, RIPK4, RIPK3 NNMT 1808/4885PARP1 341/4885POLB 3096/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NNMT 2977/4885PARP1 1780/4885POLB 3038/4885

“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.