SCHEMBL22754

SCHEMBL22754

Cc1ccc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
KDM4E B2RXH2 2/20 0.46
BACE1 P56817 1/20 0.46
NFKBIA P25963 1/20 0.43
RELA Q04206 1/20 0.43
PDE10A Q9Y233 2/20 0.42
PTPN1 P18031 1/20 0.42
METAP2 P50579 1/20 0.42
PFKFB3 Q16875 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL5090080 0.86 BACE1 (0.62) CYP1A2KDM4EBACE1NFKBIARELA
SCHEMBL12025134 0.82 CYP1A2 (0.57) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL18438822 0.78 BACE1 (0.47) KDM4EBACE1PDE10AMETAP2PFKFB3
SCHEMBL29546 0.77 NCF1 (0.50) KDM4EBACE1PDE10AMETAP2PFKFB3
SCHEMBL30485659 0.76 BACE1 (0.46) KDM4EBACE1PDE10AMETAP2PFKFB3
SCHEMBL1721228 0.76 BACE1 (0.50) KDM4EBACE1PDE10AMETAP2PFKFB3
SCHEMBL30302548 0.76 BACE1 (0.50) KDM4EBACE1PDE10AMETAP2PFKFB3
SCHEMBL22573215 0.76 BACE1 (0.46) KDM4EBACE1PDE10AMETAP2PFKFB3
SCHEMBL22717988 0.76 BACE1 (0.76) KDM4EBACE1METAP2PFKFB3
SCHEMBL14661207 0.76 KDM4E (0.55) KDM4EBACE1PDE10AMETAP2PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed
CN-103460086-B Color composition for color filter and colour filter TOYO INK SC HOLDINGS CO.,LTD. (JP) 2016-05-18 CN disclosed
CN-103492377-B As the triazolopyridine compounds of PIM kinase inhibitor ARRAY BIOPHARMA INC. (US) 2016-04-20 CN disclosed
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
EP-2678329-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-11-18 EP disclosed
US-9073862-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-07-07 US disclosed
US-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 US disclosed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2012-03-01 US disclosed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
US-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009633-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
EP-0643045-B1 Quinoline derivatives as leukotriene antagonists NOVARTIS AG (CH) 2000-03-08 EP disclosed
US-5508408-A LEUKOTRIENE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-04-16 US disclosed
EP-0643045-A1 Quinoline derivatives as leukoriene antagonists CIBA-GEIGY AG (CH) 1995-03-15 EP disclosed
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP disclosed
EP-0219308-A2 2-Substituted quinolines MERCK FROSST CANADA INC. (CA) 1987-04-22 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 (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-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNJ2 CYP1A2 1298/4885KDM4E 367/4885BACE1 4047/4885
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 CYP1A2 726/4885KDM4E 810/4885BACE1 3213/4885
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 CYP1A2 392/4885KDM4E 505/4885BACE1 3440/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 CYP1A2 392/4885KDM4E 505/4885BACE1 3440/4885
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 CYP1A2 6/4885KDM4E 539/4885BACE1 914/4885
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 CYP1A2 69/4885KDM4E 326/4885BACE1 2973/4885

“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.