SCHEMBL727645

SCHEMBL727645

NC(=O)c1c[nH]nc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.37
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP1 P29466 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
MAP2K4 P45985 1/20 0.31
METAP2 P50579 1/20 0.31
AURKA O14965 1/20 0.30
RPS6KB1 P23443 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
SCHEMBL783526 0.82 NOTUM (0.38) KMT2AKDM4EALDH1A1MAP2K4
Hydrochloric Acid SCHEMBL29715790 0.81 NOTUM (0.41) KMT2AKDM4EALDH1A1MAP2K4
SCHEMBL12956800 0.81 ALDH1A1 (0.33) KMT2AKDM4EALDH1A1
SCHEMBL1832559 0.81 MAPK1 (0.39)
SCHEMBL28158873 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5647128 0.79 KDM4E (0.31) KDM4E
SCHEMBL3906252 0.78 CFTR (0.43) KMT2AKDM4EALDH1A1
SCHEMBL12450297 0.78 KDM4E (0.31) KDM4E
Hydrochloric Acid SCHEMBL4664362 0.77 KDM4E (0.30) KDM4E
SCHEMBL28749860 0.77 KDM4E (0.31) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311847-A PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS 卡尔维斯塔制药有限公司 2019-02-05 CN claimed
CN-109195965-A The inhibitor that WDR5 protein-protein combines 普罗佩纶治疗公司 2019-01-11 CN claimed
CN-105601618-B Aromatic imides class compound and preparation method and application 天津医科大学 2018-04-27 CN claimed
EP-3030568-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos NV (BE) 2016-06-15 EP claimed
EP-2879494-A1 COMPOSITION COMPRISING A PESTICIDAL TERPENE MIXTURE AND A FUNGICIDE Bayer CropScience AG (DE) 2015-06-10 EP claimed
WO-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 WO claimed
WO-2014020109-A1 COMPOSITION COMPRISING A PESTICIDAL TERPENE MIXTURE AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2014-02-06 WO claimed
JP-2011527306-A 2011-10-27 JP claimed
EP-2317856-A1 PESTICIDAL MIXTURES COMPRISING ISOXAZOLINE COMPOUNDS II BASF SE (DE) 2011-05-11 EP claimed
EP-2219456-A1 PESTICIDAL MIXTURES COMPRISING CYANOSULFOXIMINE COMPOUNDS BASF SE (DE) 2010-08-25 EP claimed
WO-2009062905-A1 PESTICIDAL MIXTURES COMPRISING CYANOSULFOXIMINE COMPOUNDS BASF SE (DE) 2009-05-22 WO claimed
US-20250074903-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors DRI UK LP (KY) 2025-03-06 US disclosed
CN-115715290-A 2- (hetero) aryl-substituted fused heterocyclic derivatives as pesticides 拜耳公司 2023-02-24 CN disclosed
US-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-19 US disclosed
WO-2022261433-A1 EXTENDER COMPOSITIONS AND USE THEREOF TO INCREASE ON-SEED ADHERENCE AND STABILITY OF MICROBES PIVOT BIO, INC. (US) 2022-12-15 WO disclosed
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US disclosed
CN-100381049-C Aqueous suspension preparation of bactericide for folieage application MITSUI CHEMICALS INC (JP) 2008-04-16 CN disclosed
CN-1826052-A Aqueous suspension of bactericide for stem and leaf spreading MITSUI CHEMICALS INC (JP) 2006-08-30 CN disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 US disclosed
CN-1078234-A Pyrazole carboxanilide fungicide MONSANTO CO (US) 1993-11-10 CN 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 (4 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 PARP1 3394/4885CCNC 432/4885CDK8 2728/4885
US-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, NPC1L1 PARP1 4396/4885CCNC 4493/4885CDK8 4124/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 PARP1 4085/4885CCNC 574/4885CDK8 2065/4885
US-20250074903-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 PARP1 1516/4885CCNC 3112/4885CDK8 1338/4885

“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.