SCHEMBL1704800

SCHEMBL1704800

FC(F)(F)c1cccc(NC2CCNCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 4/20 0.61
MAPK1 P28482 1/20 0.57
HTR2C P28335 2/20 0.56
MALT1 Q9UDY8 2/20 0.55
APP P05067 1/20 0.54
AURKA O14965 1/20 0.50
PIM1 P11309 1/20 0.50
FLT3 P36888 1/20 0.50
GSK3B P49841 1/20 0.50
DCUN1D1 Q96GG9 1/20 0.49
LMNA P02545 1/20 0.48
HTR6 P50406 2/20 0.47
MLNR O43193 2/20 0.47
EPHX2 P34913 1/20 0.47

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
Bromide SCHEMBL9310887 0.98 IDH2 (0.60) IDH2MAPK1HTR2CMALT1APP
Hydrochloric Acid SCHEMBL7060324 0.98 IDH2 (0.60) IDH2MAPK1HTR2CMALT1APP
Hydrochloric Acid SCHEMBL422804 0.98 IDH2 (0.60) IDH2MAPK1HTR2CMALT1APP
SCHEMBL21856299 0.91 IDH2 (0.73) IDH2MAPK1HTR2CMALT1APP
Hydrochloric Acid SCHEMBL9312323 0.90 IDH2 (0.71) IDH2MAPK1HTR2CMALT1APP
SCHEMBL1420520 0.89 MALT1 (0.66) IDH2MALT1APPLMNAEPHX2
Hydrochloric Acid SCHEMBL1669945 0.87 MALT1 (0.64) IDH2MALT1APPLMNAEPHX2
SCHEMBL18466529 0.84 IDH2 (0.45) IDH2MAPK1HTR2CMALT1APP
SCHEMBL12076535 0.84 EPHX2 (0.63) IDH2MALT1PIM1LMNAEPHX2
SCHEMBL27552253 0.83 HTR6 (0.47) IDH2MAPK1MALT1APPDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104725356-B Nitrogen heterocyclic derivatives and application thereof in medicine 广东东阳光药业有限公司 2017-02-22 CN disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
US-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
EP-2508526-A1 Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators Ares Trading SA (CH) 2012-10-10 EP disclosed
EP-2508526-A1 Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators Ares Trading SA (CH) 2012-10-10 EP disclosed
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 WO disclosed
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 WO disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 WO disclosed
EP-1246795-A2 ANTIBACTERIAL AGENTS Tularik Inc. (US) 2002-10-09 EP disclosed
WO-2001051456-A2 ANTIBACTERIAL AGENTS TULARIK INC. (US) 2001-07-19 WO disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 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 (3 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO IDH2 781/4885MAPK1 2766/4885HTR2C 3378/4885
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 IDH2 3633/4885MAPK1 1850/4885HTR2C 68/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 IDH2 4066/4885MAPK1 1649/4885HTR2C 111/4885

“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.