SCHEMBL5247689

SCHEMBL5247689

N#Cc1ccc(NC(=O)O)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.60
AR P10275 8/20 0.57
BLM P54132 1/20 0.53
SLC22A12 Q96S37 1/20 0.52

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
SCHEMBL17658051 0.89 BLM (0.63) TAS2R14ARBLMSLC22A12
SCHEMBL14289402 0.86 AR (0.59) AR
SCHEMBL18187538 0.86 AR (0.59) TAS2R14ARBLMSLC22A12
SCHEMBL2980069 0.86 AR (0.59) AR
SCHEMBL324379 0.86 AR (0.56) TAS2R14ARBLMSLC22A12
SCHEMBL16823496 0.84 TAS2R14 (0.53) TAS2R14ARBLMSLC22A12
SCHEMBL9682036 0.84 MAPT (0.65) TAS2R14ARSLC22A12
SCHEMBL15032263 0.84 BLM (0.56) TAS2R14ARBLM
SCHEMBL5664793 0.84 AR (0.55) TAS2R14AR
SCHEMBL9430893 0.84 AR (0.63) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3733170-A1 A METHOD OF TREATING ANDROGEN RECEPTOR (AR) -POSITIVE BREAST CANCERS WITH SELECTIVE ANDROGEN RECEPTOR MODULATOR (SARMS) Oncternal Therapeutics, Inc. (US) 2020-11-04 EP disclosed
EP-2872482-B1 A METHOD OF TREATING BREAST CANCERS WITH SELECTIVE ANDROGEN RECEPTOR MODULATOR (SARM) ONCTERNAL THERAPEUTICS INC (US) 2020-07-08 EP disclosed
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 US disclosed
EP-3068784-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP disclosed
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 WO disclosed
US-8710224-B2 Heterocyclic compounds as CCR2B antagonists ASTRAZENECA AB (SE) 2014-04-29 US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
EP-1831164-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067401-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2006-06-29 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 (2 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-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 TAS2R14 3024/4885AR 788/4885BLM 2351/4885
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 TAS2R14 4036/4885AR 2738/4885BLM 4846/4885

“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.