SCHEMBL1483890

SCHEMBL1483890

N#Cc1ccc(NC(=O)C(F)(F)Cl)cn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.60
KCNQ3 O43525 3/20 0.53
KCNQ2 O43526 3/20 0.53
SCN10A Q9Y5Y9 1/20 0.44
BRAF P15056 1/20 0.40
CHEK1 O14757 5/20 0.40
KCNE1 P15382 2/20 0.39
KCNQ1 P51787 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL17603205 0.88 AR (0.63) ARKCNQ3KCNQ2SCN10ABRAF
SCHEMBL19776339 0.80 KCNQ3 (0.56) ARKCNQ3KCNQ2SCN10ABRAF
SCHEMBL3305812 0.78 AR (0.57) ARKCNQ3KCNQ2SCN10ABRAF
SCHEMBL1483167 0.77 KCNQ3 (0.53) ARKCNQ3KCNQ2SCN10ABRAF
SCHEMBL31680457 0.76 AR (0.59) ARKCNQ3KCNQ2BRAFCHEK1
SCHEMBL20942380 0.76 AR (0.59) ARKCNQ3KCNQ2SCN10ABRAF
SCHEMBL13036452 0.76 AR (0.59) ARKCNQ3KCNQ2BRAFCHEK1
SCHEMBL1483561 0.76 MAPT (0.56) ARKCNQ3KCNQ2CHEK1NPC1
SCHEMBL1483214 0.76 KCNQ3 (0.52) ARKCNQ3KCNQ2SCN10ABRAF
SCHEMBL27857353 0.76 KCNQ3 (0.52) ARKCNQ3KCNQ2SCN10ABRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314103-B2 Pyridyl derivatives, their preparation and use Piramal Enterprises Limited (IN) 2012-11-20 US disclosed
US-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-03-31 US disclosed
WO-2009019656-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-12 WO 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-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE HIF1AN, HIF1A, MTOR AR 3332/4885KCNQ3 4563/4885KCNQ2 4546/4885

“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.