SCHEMBL20043809

SCHEMBL20043809

COc1ncc(C)cc1-c1nc2cc(N3CCC(O)CC3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.41
SSTR2 P30874 5/20 0.40
KCNH2 Q12809 5/20 0.40
NTSR1 P30989 1/20 0.37
CARM1 Q86X55 2/20 0.37
ABL1 P00519 1/20 0.37
DCLK1 O15075 1/20 0.37
MAPK7 Q13164 1/20 0.37
LRRK2 Q5S007 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMO Q99835 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL18155114 0.89 RET (0.41) PDE7ASSTR2KCNH2NTSR1CARM1
SCHEMBL18163934 0.88 PRKAG1 (0.41) KCNH2ABL1MAPTKDM4EMEN1
SCHEMBL18163993 0.86 CBFB (0.45) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL18164036 0.83 SUV39H2 (0.44)
SCHEMBL21480682 0.82 RHEB (0.43) ABL1
SCHEMBL20043813 0.81 ALK (0.42) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL21485055 0.80 SSTR2 (0.43) PDE7ASSTR2KCNH2ABL1MAPT
SCHEMBL20043814 0.78 SUV39H2 (0.42) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL18155054 0.77 RET (0.43) KCNH2ABL1MAPTKDM4EMEN1
SCHEMBL14892249 0.77 TOP1 (0.41) SSTR2KCNH2MAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180099947-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES ALK, ABL2, ACVR1 PDE7A 4536/4885SSTR2 582/4885KCNH2 1334/4885

“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.