SCHEMBL18100955

SCHEMBL18100955

Cc1ccc(-c2c(C)nc3ccccn23)nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.57
▸ CDK4 P11802 5/20 0.57
▸ CCNE1 P24864 4/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ GLA P06280 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HPGD P15428 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MAPT P10636 4/20 0.45
▸ GAA P10253 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45

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
SCHEMBL16739928 0.82 CDK2 (0.40) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL18100935 0.81 CDK2 (0.58) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL18100929 0.75 CDK2 (0.52) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL21208238 0.75 CDK2 (0.74) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL15741283 0.73 ALDH1A1 (0.48) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL9611707 0.73 ALDH1A1 (0.56) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL7964840 0.72 CDK2 (1.00) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL15004600 0.72 NPC1 (0.58) CDK2CDK4ALDH1A1KDM4EGLA
SCHEMBL21208156 0.71 CDK2 (0.51) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL21217027 0.71 CDK2 (0.51) CDK2CDK4CCNE1ALDH1A1KDM4E

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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B CDK2 1415/4885CDK4 1151/4885CCNE1 2339/4885

“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.

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