SCHEMBL18100956

SCHEMBL18100956

Cc1nc2ccccn2c1-c1nc(Cl)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.51
▸ CDK4 P11802 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ CCNE1 P24864 4/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ USP7 Q93009 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16740058 0.80 HSD17B10 (0.42) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL17231254 0.76 CDK2 (0.56) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL18100935 0.75 CDK2 (0.58) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL18100957 0.73 TUBB4A (0.52) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL4052458 0.71 CDK2 (0.50) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL9611707 0.71 ALDH1A1 (0.56) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL18100929 0.70 CDK2 (0.52) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL15004600 0.70 NPC1 (0.58) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL16563652 0.70 KMT2A (0.54) CDK2CDK4ALDH1A1KDM4EHPGD
SCHEMBL7965088 0.69 CDK2 (0.54) CDK2CDK4ALDH1A1KDM4EHPGD

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 1151/4885ALDH1A1 1727/4885

“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.

Send feedback