SCHEMBL2334995

SCHEMBL2334995

OC(c1ccncc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP19A1 P11511 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2C19 P33261 2/20 0.38
KIF11 P52732 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL609305 0.87 KIF11 (0.52) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL14593355 0.82 ESR1 (0.48) KDM4ECYP4F2CYP4A11ESR1ESR2
SCHEMBL8307725 0.77 KDM4E (0.40) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL24397778 0.76 CES2 (0.57) KIF11ESR1ESR2CES2CES1
SCHEMBL18810810 0.76 CYP3A4 (0.43) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL3947640 0.76 CYP3A4 (0.50) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL24397779 0.76 CES2 (0.57) KIF11ESR1ESR2CES2CES1
SCHEMBL2421778 0.76 CES2 (0.57) KIF11ESR1ESR2CES2CES1
SCHEMBL44838 0.75 AOC3 (0.47) KDM4ECES2CES1NR1I2
SCHEMBL3077737 0.75 AOC3 (0.47) KDM4ECES2CES1NR1I2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2023-07-13 US disclosed
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2020-02-04 US disclosed
EP-2570411-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA HAKKO KIRIN CO LTD (JP) 2016-07-06 EP disclosed
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2015-12-10 US disclosed
US-9150569-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-06 US disclosed
WO-2015069593-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 WO disclosed
EP-2374802-B1 KYNURENINE PRODUCTION INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2014-04-23 EP disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
EP-2215086-B1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
EP-2215086-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 WO disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 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 (6 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-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 CYP3A4 707/4885CYP19A1 819/4885CYP17A1 1360/4885
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 CYP3A4 707/4885CYP19A1 819/4885CYP17A1 1360/4885
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYNU, KMO, IDO1 CYP3A4 707/4885CYP19A1 819/4885CYP17A1 1360/4885
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 CYP3A4 707/4885CYP19A1 819/4885CYP17A1 1360/4885
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 CYP3A4 110/4885CYP19A1 147/4885CYP17A1 906/4885
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST C5, PRDX1, PLPBP CYP3A4 308/4885CYP19A1 1190/4885CYP17A1 1981/4885

“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.