SCHEMBL20048367

SCHEMBL20048367

O=c1[nH]cc(-c2ccnc3ccccc23)cc1-c1nc2cc(N3CCNCC3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFB2 P61812 1/20 0.55
ACVR1 Q04771 11/20 0.49
TGFBR1 P36897 5/20 0.49
AURKA O14965 1/20 0.48
TTK P33981 1/20 0.48
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
BMP4 P12644 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BMPR1B O00238 4/20 0.43
BMPR1A P36894 4/20 0.43
ACVR1B P36896 4/20 0.43
ACVRL1 P37023 4/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL18155042 0.93 TGFB2 (0.64) TGFB2ACVR1TGFBR1AURKATTK
SCHEMBL18163940 0.90 PDGFRB (0.51) TGFB2ACVR1TGFBR1AURKATTK
SCHEMBL18155091 0.90 FGFR1 (0.50) TGFB2ACVR1TGFBR1AURKATTK
SCHEMBL18155078 0.87 TGFB2 (0.52) TGFB2AURKAAURKBINCENPPIM1
SCHEMBL18163943 0.86 TGFB2 (0.57) TGFB2ACVR1BMPR1BACVRL1KDR
SCHEMBL18155095 0.85 TGFB2 (0.51) TGFB2ACVR1KDRPIM1PIM3
SCHEMBL18155106 0.85 TGFB2 (0.52) TGFB2ACVR1TGFBR1BMP4BMPR1B
SCHEMBL18155045 0.84 FGFR1 (0.54) TGFB2ACVR1TGFBR1AURKATTK
SCHEMBL18155028 0.84 TGFB2 (0.49) TGFB2AURKAAURKBINCENPFLT3
SCHEMBL18164050 0.83 TGFB2 (0.58) TGFB2AURKAAURKBNPC1RAB9A

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-3283475-B1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
US-10179777-B2 3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one derivatives MERCK PATENT GMBH (DE) 2019-01-15 US disclosed
US-20180099947-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2018-04-12 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-10179777-B2 3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one derivatives ALK, ABL2, ACVR1 TGFB2 267/4885ACVR1 3/4885TGFBR1 30/4885
US-20180099947-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES ALK, ABL2, ACVR1 TGFB2 267/4885ACVR1 3/4885TGFBR1 30/4885

“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.