SCHEMBL18155092

SCHEMBL18155092

O=c1[nH]cc(-c2ccnc3ccccc23)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
HPGD P15428 2/20 0.66
RAB9A P51151 2/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
AURKA O14965 1/20 0.61
TTK P33981 1/20 0.61
AURKB Q96GD4 1/20 0.61
INCENP Q9NQS7 1/20 0.61
KDR P35968 5/20 0.51
FGFR1 P11362 4/20 0.51
PDGFRB P09619 3/20 0.51
GBA1 P04062 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
ACVR1 Q04771 3/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IDO1 P14902 1/20 0.48

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
SCHEMBL18155116 0.87 RHEB (0.52) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL18155055 0.84 AURKA (0.49) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL18155045 0.83 FGFR1 (0.54) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL18155042 0.83 TGFB2 (0.64) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL20048367 0.83 TGFB2 (0.55) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL18163940 0.82 PDGFRB (0.51) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL18155091 0.82 FGFR1 (0.50) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL3078070 0.81 NPC1 (1.00) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL29858384 0.81 NPC1 (1.00) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL18155107 0.79 DYRK1A (0.46) NPC1HPGDRAB9AKDM4EALDH1A1

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 9 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 claimed
EP-3283475-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES Merck Patent GmbH (DE) 2018-02-21 EP claimed
WO-2016165808-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-10-20 WO claimed
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
EP-3283475-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES Merck Patent GmbH (DE) 2018-02-21 EP disclosed
WO-2016165808-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-10-20 WO disclosed
WO-2016165808-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-10-20 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 (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 NPC1 3032/4885HPGD 4039/4885RAB9A 4620/4885
US-20180099947-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES ALK, ABL2, ACVR1 NPC1 3032/4885HPGD 4039/4885RAB9A 4620/4885

“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.