SCHEMBL21959620

SCHEMBL21959620

CS(=O)(=O)c1nc(C=O)n2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ALDH1A1 P00352 9/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 5/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ BRD9 Q9H8M2 1/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.37
▸ BAZ2A Q9UIF9 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL20674153 0.78 BAZ2B (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL20674509 0.73 ALDH1A1 (0.42) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL4318776 0.69 KDM4E (0.51) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL14143168 0.67 ALDH1A1 (0.58) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL7400507 0.66 HTR1A (0.54) —
SCHEMBL20674162 0.66 BAZ2B (0.37) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL20674631 0.65 BAZ2B (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL31215221 0.64 HIF1A (0.52) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL15181795 0.64 ALDH1A1 (0.64) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL9517330 0.62 KDM4E (0.42) KDM4EMAPTNPSR1ALDH1A1KMT2A

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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 — — 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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 KDM4E 1912/4885MAPT 2598/4885NPSR1 2853/4885

“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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