SCHEMBL17052993

SCHEMBL17052993

Cc1cccc(NC(=O)c2cccc(CF)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.72
▸ KMT2A Q03164 4/20 0.72
▸ RXFP1 Q9HBX9 1/20 0.72
▸ KCNK3 O14649 11/20 0.68
▸ KCNK9 Q9NPC2 9/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ RAB9A P51151 4/20 0.63
▸ HTT P42858 1/20 0.63
▸ POLB P06746 1/20 0.62
▸ THRB P10828 1/20 0.56
▸ TP53 P04637 2/20 0.56
▸ FFAR1 O14842 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ NR1H4 Q96RI1 1/20 0.55
▸ NPC1 O15118 1/20 0.55

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
SCHEMBL15676738 0.87 MEN1 (0.74) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL17664548 0.87 NPC1 (0.59) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL4253897 0.85 KCNK3 (0.93) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL1696311 0.84 MEN1 (0.70) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL1690508 0.83 MEN1 (0.68) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL21377635 0.82 KCNK3 (0.77) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL17052865 0.82 MEN1 (0.69) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL12764067 0.81 KCNK3 (0.91) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL18718185 0.80 MEN1 (0.63) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL13026980 0.80 KCNK3 (0.72) MEN1KMT2ARXFP1KCNK3KCNK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394261-B2 Aryl amine substituted pyrimidine and quinazoline and their use as anticancer drugs NATIONAL YANG-MING UNIVERSITY (TW) 2016-07-19 — — US disclosed
US-20150246891-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS NATIONAL TAIWAN UNIVERSITY (TW) 2015-09-03 — — 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-20150246891-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS EGFR, ERBB4, ERBB2 MEN1 3727/4885KMT2A 2105/4885RXFP1 3793/4885

“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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