SCHEMBL791842

SCHEMBL791842

FC(F)(F)c1c[c]ncn1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
CHKA P35790 1/20 0.40
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL17103466 0.82
SCHEMBL17103290 0.82
SCHEMBL7962887 0.69 L3MBTL1 (0.37)
SCHEMBL446894 0.67
SCHEMBL13721022 0.67
SCHEMBL16538344 0.66 KIF11 (0.42)
SCHEMBL792392 0.62 TRPV4 (0.37) CA2CHKATRPV4
SCHEMBL17103362 0.62
SCHEMBL73269 0.62 LOXL2 (0.35) CA2CHKATRPV4
SCHEMBL789989 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034737-A1 Heterocyclic Derivatives as P2X7 Receptor Antagonists BREYE THERAPEUTICS APS (DK) 2024-02-01 US claimed
EP-4262975-A1 HETEROCYCLIC DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Breye Therapeutics ApS (DK) 2023-10-25 EP claimed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US claimed
WO-2022129365-A1 HETEROCYCLIC DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2022-06-23 WO claimed
EP-4015039-A1 HETEROCYCLIC DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AXXAM S.p.A. (IT) 2022-06-22 EP claimed
EP-3019480-B1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP claimed
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2019-08-13 US claimed
CN-103596937-B Substituted benzamide derivatives 霍夫曼-拉罗奇有限公司 2016-06-29 CN claimed
US-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 US claimed
EP-3019480-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER Agios Pharmaceuticals, Inc. (US) 2016-05-18 EP claimed
WO-2012168265-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO claimed
US-20120316165-A1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-12-13 US claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
EP-2491031-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-08-29 EP claimed
WO-2011050202-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO claimed
US-20100227844-A1 CANNABINOID-1 RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2010-09-09 US claimed
WO-2009054929-A1 CANNABINOID-1 RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2009-04-30 WO claimed
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 CN claimed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO claimed
US-6124294-A COMPOUNDS HAVING HIGH AFFINITY FOR DOPAMINE D3 RECEPTOR; USED TO TREAT DISORDERS WHICH RESPOND TO DOPAMINE D3 LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2000-09-26 US claimed

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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA CA2 2790/4885CHKA 1567/4885TRPV4 2812/4885
US-20100227844-A1 CANNABINOID-1 RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE CNR1, CNR2, GPR18 CA2 716/4885CHKA 320/4885TRPV4 615/4885
US-20120316165-A1 SUBSTITUTED BENZAMIDE DERIVATIVES NPY4R, PER2, NPY1R CA2 2365/4885CHKA 2083/4885TRPV4 463/4885
US-20240034737-A1 Heterocyclic Derivatives as P2X7 Receptor Antagonists P2RX7, P2RX3, P2RX1 CA2 1786/4885CHKA 2370/4885TRPV4 44/4885
US-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER IDH2, IDH3B, IDH3A CA2 1806/4885CHKA 2343/4885TRPV4 4869/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A CA2 1806/4885CHKA 2343/4885TRPV4 4869/4885

“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.