SCHEMBL2331950

SCHEMBL2331950

COC(c1ccnc(C#N)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.35
MYC P01106 1/20 0.33
NQO1 P15559 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
KDR P35968 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTR6 P50406 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
IDH2 P48735 1/20 0.31
XDH P47989 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
FGFR3 P22607 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HPGDS O60760 1/20 0.31
NPY5R Q15761 1/20 0.30

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
SCHEMBL2335429 0.82 IDH1 (0.35) IDH1MYCKDRHDAC4HDAC6
SCHEMBL2332728 0.80 IDH1 (0.39) IDH1MYCKDRHDAC4HDAC6
SCHEMBL2332854 0.78 SQOR (0.31) IDH1
SCHEMBL27478008 0.77 IDH1 (0.34) IDH1MYCMALT1KDRHDAC4
SCHEMBL12282808 0.77 TRPA1 (0.37) NQO1SCN10AHPGDS
SCHEMBL29272426 0.76 HTR6 (0.33) HTR6
SCHEMBL2338500 0.76 MYC (0.38) IDH1MYCMALT1KDRHDAC4
SCHEMBL12181355 0.76 NOS3 (0.44) HTR6AAK1
SCHEMBL27480580 0.74 SCN10A (0.35) IDH1AAK1IDH2SCN10A
SCHEMBL5222824 0.74 MYC (0.31) IDH1MYCAAK1

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 23 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-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-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-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
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
EP-2570411-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING KYNURENINE PRODUCTION INHIBITORY ACTIVITY Kyowa Hakko Kirin Co., Ltd. (JP) 2013-03-20 EP disclosed
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
WO-2011142316-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING KYNURENINE PRODUCTION INHIBITORY ACTIVITY 協和発酵キリン株式会社 (JP) 2011-11-17 WO 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 (5 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 IDH1 206/4885MYC 3199/4885NQO1 147/4885
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 IDH1 206/4885MYC 3199/4885NQO1 147/4885
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYNU, KMO, IDO1 IDH1 206/4885MYC 3199/4885NQO1 147/4885
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 IDH1 206/4885MYC 3199/4885NQO1 147/4885
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST C5, PRDX1, PLPBP IDH1 575/4885MYC 4314/4885NQO1 489/4885

“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.