SCHEMBL20043813

SCHEMBL20043813

COc1ncc(C)cc1-c1nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SUV39H2 Q9H5I1 3/20 0.40
PDK2 Q15119 1/20 0.40
P2RX7 Q99572 1/20 0.40
CCNK O75909 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.39
SOS1 Q07889 1/20 0.39

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
SCHEMBL20043814 0.97 SUV39H2 (0.42) ALKMAPTSMN1; SMN2MEN1TSHR
SCHEMBL18155030 0.91 SUV39H2 (0.42) ALKMAPTSMN1; SMN2MEN1TSHR
SCHEMBL18155109 0.88 SUV39H2 (0.42) ALKSUV39H2PDK2
SCHEMBL18164036 0.84 SUV39H2 (0.44) SUV39H2
SCHEMBL18155094 0.84 ALK (0.48) ALKMAPTSMN1; SMN2SUV39H2P2RX7
SCHEMBL21480677 0.83 ALK (0.46) ALKMAPTSMN1; SMN2MEN1TSHR
SCHEMBL18163934 0.82 PRKAG1 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20043809 0.81 PDE7A (0.41) MAPTSMN1; SMN2MEN1KMT2ACDK2
SCHEMBL18163993 0.81 CBFB (0.45) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18163965 0.77 ALK (0.44) ALKCCNKCCNA2CDK2CCND3

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 ALK 1/4885MAPT 4062/4885SMN1; SMN2 1200/4885

“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.