SCHEMBL5166111

SCHEMBL5166111

CC(=O)Nc1cc(C(F)(F)F)ccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
TAS2R14 Q9NYV8 1/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 1/20 0.50
PTPN5 P54829 1/20 0.50
TSHR P16473 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 1/20 0.49
KIF11 P52732 1/20 0.49
BRAF P15056 1/20 0.48
DYRK1A Q13627 2/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL11055173 0.88 TAS2R14 (0.60) CYP1A2CYP2C9CYP2C19TAS2R14ALDH1A1
SCHEMBL31245754 0.88 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19TAS2R14ALDH1A1
SCHEMBL6063344 0.88 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19TAS2R14ALDH1A1
SCHEMBL4463318 0.87 TAS2R14 (0.52) CYP1A2CYP2C9CYP2C19TAS2R14ALDH1A1
SCHEMBL28141674 0.85 TAS2R14 (0.57) CYP1A2CYP2C9CYP2C19TAS2R14ALDH1A1
SCHEMBL13849156 0.84 ALDH1A1 (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL19175301 0.84 ALDH1A1 (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL31394374 0.84 TAS2R14 (0.50) CYP1A2CYP2C9CYP2C19TAS2R14ALDH1A1
SCHEMBL14285769 0.84 TAS2R14 (0.50) CYP1A2CYP2C9CYP2C19TAS2R14ALDH1A1
SCHEMBL24459355 0.83 MAPT (0.54) CYP1A2CYP2C9CYP2C19TAS2R14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
EP-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 EP disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
CN-1989113-B Quinazoline derivatives NOVARTIS AG 2011-02-16 CN disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
CN-1989113-A Quinazoline derivatives NOVARTIS AG (CH) 2007-06-27 CN disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 EP disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 WO disclosed
EP-1156044-B1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-08-25 EP disclosed
US-6562839-B1 Effective for the therapy of disorder of cerebral nerve cells as antagonists against excitatory amino acid receptors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-13 US disclosed
EP-1156044-A1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP 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-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 CYP1A2 5/4885CYP2C9 18/4885CYP2C19 12/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 CYP1A2 11/4885CYP2C9 17/4885CYP2C19 132/4885

“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.