SCHEMBL428407

SCHEMBL428407

COc1nc(Br)ccc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.53
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
EDNRA P25101 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CDC7 O00311 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
DGAT1 O75907 1/20 0.37
TSHR P16473 2/20 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
SCHEMBL425745 0.84 TDP1 (0.71) NNMTPOLBTDP1KDM4ERAB9A
SCHEMBL5010608 0.84 POLB (0.71) NNMTPOLBTDP1RAB9ANPC1
SCHEMBL2414594 0.84 POLB (0.51) NNMTPOLBTDP1KDM4ERAB9A
SCHEMBL426998 0.82 TDP1 (0.50) POLBTDP1KDM4ERAB9ANPC1
SCHEMBL29903108 0.80 NNMT (0.54) NNMTPOLBTDP1KDM4ECDC7
SCHEMBL5013567 0.80 NNMT (0.54) NNMTPOLBTDP1KDM4ECDC7
SCHEMBL27887589 0.79 POLB (0.47) NNMTPOLBTDP1EDNRARAB9A
SCHEMBL2527039 0.79 NNMT (0.49) NNMTPOLBTDP1KDM4ECDC7
SCHEMBL29361411 0.79 NNMT (0.49) NNMTPOLBTDP1KDM4ECDC7
SCHEMBL27240208 0.76 POLB (0.44) NNMTPOLBTDP1EDNRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO 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-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 NNMT 1348/4885POLB 3481/4885TDP1 4559/4885

“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.