SCHEMBL18100960

SCHEMBL18100960

Cc1nc2ccccn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CDK2 P24941 5/20 0.43
▸ CDK4 P11802 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CCNE1 P24864 2/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ FLT4 P35916 1/20 0.42

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
SCHEMBL16740120 0.90 PKM (0.43) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL18100965 0.86 KMT2A (0.39) KMT2AMAPTMEN1HTTSMN1; SMN2
SCHEMBL18100944 0.82 CDK2 (0.46) KMT2AMAPTMEN1CDK2CDK4
SCHEMBL16747864 0.82 KDM4E (0.45) KMT2AMAPTMEN1CDK2CDK4
SCHEMBL18100951 0.81 CDK2 (0.46) KMT2AMAPTMEN1CDK2CDK4
SCHEMBL18100937 0.81 CDK2 (0.52) KMT2AMAPTMEN1CDK2CDK4
SCHEMBL18100942 0.81 CDK2 (0.44) KMT2AMAPTMEN1CDK2CDK4
SCHEMBL18100959 0.80 CDK2 (0.44) KMT2AMAPTMEN1CDK2CDK4
SCHEMBL16747833 0.79 PKM (0.48) KMT2AMAPTMEN1CDK2CDK4
SCHEMBL18100943 0.79 CDK2 (0.45) KMT2AMAPTMEN1CDK2CDK4

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 KMT2A 132/4885MAPT 4561/4885MEN1 985/4885

“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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