SCHEMBL17052865

SCHEMBL17052865

Cc1cccc(NC(=O)c2cc(CF)cc(C(F)(F)F)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ RAB9A P51151 2/20 0.69
▸ HTT P42858 1/20 0.69
▸ KCNK3 O14649 5/20 0.64
▸ KCNK9 Q9NPC2 3/20 0.64
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ RXFP1 Q9HBX9 3/20 0.55
▸ RHOC P08134 1/20 0.52
▸ RHOA P61586 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ P2RX1 P51575 1/20 0.50
▸ PTGS1 P23219 1/20 0.49
▸ ALOX5 P09917 1/20 0.49

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
SCHEMBL15604709 0.88 MEN1 (0.82) MEN1KMT2ARAB9AHTTKCNK3
SCHEMBL12764063 0.82 MEN1 (1.00) MEN1KMT2ARAB9AHTTKCNK3
SCHEMBL17052993 0.82 MEN1 (0.72) MEN1KMT2ARAB9AHTTKCNK3
SCHEMBL12764058 0.82 MEN1 (0.79) MEN1KMT2ARAB9AHTTKCNK3
SCHEMBL18893144 0.77 RXFP1 (0.74) RXFP1
SCHEMBL2908619 0.77 MEN1 (0.89) MEN1KMT2ARAB9AHTTKCNK3
SCHEMBL15847043 0.77 KCNK3 (0.92) MEN1KMT2ARAB9AHTTKCNK3
SCHEMBL12764066 0.76 KCNK3 (0.70) MEN1KMT2ARAB9AHTTKCNK3
SCHEMBL17050937 0.75 KCNK3 (0.67) MEN1KMT2ARAB9AHTTKCNK3
SCHEMBL15676738 0.75 MEN1 (0.74) MEN1KMT2ARAB9AHTTKCNK3

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 2105/4885RAB9A 496/4885

“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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