SCHEMBL4988967

SCHEMBL4988967

FC(F)(F)c1ccnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
NTRK1 P04629 4/20 0.42
PTGS1 P23219 1/20 0.42
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PDE10A Q9Y233 2/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NOTUM Q6P988 1/20 0.36

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
SCHEMBL4882306 0.82 KDM4E (0.48) KDM4EPTGS1ALDH1A1KMT2AMEN1
SCHEMBL28047870 0.82 CYP11B2 (0.44) KDM4ENTRK1
SCHEMBL28260479 0.81 KDM4E (0.47) KDM4ESMN1; SMN2MAPTPTGS1CYP2C9
SCHEMBL598084 0.81 KDM4E (0.50) KDM4EPOLBNTRK1CYP2C9
SCHEMBL4886599 0.81 KDM4E (0.47) KDM4EPOLBSMN1; SMN2MAPTPTGS1
SCHEMBL24303668 0.81 KDM4E (0.47) KDM4EPOLBSMN1; SMN2MAPTNTRK1
SCHEMBL4854437 0.81 KDM4E (0.47) KDM4ESMN1; SMN2MAPTPTGS1CYP2C9
SCHEMBL4886275 0.80 POLB (0.43) KDM4EPOLBSMN1; SMN2NTRK1ALDH1A1
SCHEMBL13492177 0.80 POLB (0.52) KDM4EPOLBSMN1; SMN2CYP2C9ALDH1A1
SCHEMBL16217007 0.80 POLB (0.52) KDM4EPOLBSMN1; SMN2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3348558-A1 COMPOSITIONS COMPRISING FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2018-07-18 EP claimed
EP-3018132-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2016-05-11 EP claimed
EP-2697227-B1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-02-03 EP claimed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN disclosed
WO-2024134514-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO disclosed
WO-2024134517-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO disclosed
WO-2024134516-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO disclosed
WO-2024134515-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-9204647-B2 Pyrazole compounds for controlling invertebrate pests BASF SE (DE) 2015-12-08 US disclosed
US-20140068820-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2014-03-06 US disclosed
US-20140066625-A1 Fused Imidazole Derivatives Useful as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-03-06 US disclosed
US-7338956-B2 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-04 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US 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 (8 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2800/4885POLB 2574/4885SMN1; SMN2 3714/4885
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 KDM4E 2655/4885POLB 1746/4885SMN1; SMN2 1922/4885
US-20140068820-A1 Pyrazole Compounds for Controlling Invertebrate Pests GRIN2A, PRXL2A, GRIN3A KDM4E 3274/4885POLB 4040/4885SMN1; SMN2 2341/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885POLB 3676/4885SMN1; SMN2 4369/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 KDM4E 2869/4885POLB 4035/4885SMN1; SMN2 599/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 2800/4885POLB 2574/4885SMN1; SMN2 3714/4885
US-20140066625-A1 Fused Imidazole Derivatives Useful as IDO Inhibitors IDO1, IDO2, INMT KDM4E 387/4885POLB 3519/4885SMN1; SMN2 4647/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2800/4885POLB 2574/4885SMN1; SMN2 3714/4885

“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.