SCHEMBL20043814

SCHEMBL20043814

COc1ncc(C)cc1-c1nc2cc(N3CCCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 4/20 0.42
ALK Q9UM73 6/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
EGFR P00533 3/20 0.41
PDK2 Q15119 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 1/20 0.39
ATR Q13535 1/20 0.38
MAPK3 P27361 1/20 0.38

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
SCHEMBL20043813 0.97 ALK (0.42) SUV39H2ALKPDK2MEN1MAPT
SCHEMBL18155109 0.91 SUV39H2 (0.42) SUV39H2ALKCKS1BSKP1SKP2
SCHEMBL18155030 0.88 SUV39H2 (0.42) SUV39H2ALKPDK2MEN1MAPT
SCHEMBL18163934 0.83 PRKAG1 (0.41) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL18164036 0.82 SUV39H2 (0.44) SUV39H2CKS1BSKP1SKP2
SCHEMBL18155094 0.81 ALK (0.48) SUV39H2ALKCKS1BSKP1SKP2
SCHEMBL21480677 0.81 ALK (0.46) ALKMEN1MAPTTSHRKMT2A
SCHEMBL18155113 0.80 RET (0.40) ALKMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL18155036 0.79 ALK (0.43) SUV39H2ALKCKS1BSKP1SKP2
SCHEMBL20043809 0.78 PDE7A (0.41) MEN1MAPTKMT2ASMN1; SMN2

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 SUV39H2 972/4885ALK 1/4885CKS1B 509/4885

“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.