SCHEMBL2489084

SCHEMBL2489084

O=C=NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.71
GRIN2B Q13224 2/20 0.50
ACP3 P15309 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 2/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
LMNA P02545 2/20 0.47
GRIN1 Q05586 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
DAO P14920 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL6660390 0.87 MIF (0.67) MIFGRIN2BACP3TAAR1IDO1
SCHEMBL7469794 0.83 MIF (0.72) MIFACP3TAAR1IDO1HTR2A
SCHEMBL2340843 0.83 MIF (1.00) MIFGRIN2BACP3TAAR1IDO1
SCHEMBL7079916 0.83 MIF (0.71) MIFGRIN2BACP3TAAR1IDO1
SCHEMBL2906765 0.83 MIF (0.49) MIFGRIN2B
SCHEMBL29129683 0.82 MIF (0.46) MIFGRIN2BIDO1DAO
SCHEMBL28872903 0.82 MIF (0.49) MIFGRIN2BGRIN1MAPT
SCHEMBL26785 0.81 MIF (0.47) MIFGRIN2BTAAR1LMNAGRIN1
SCHEMBL5465655 0.81 MIF (0.47) MIFGRIN2BTAAR1LMNAGRIN1
SCHEMBL6662002 0.80 MIF (0.77) MIFGRIN2BACP3TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059940-A Mountain lotus leaf essence urea derivative and preparation method and application thereof 南通大学 2026-05-19 CN disclosed
EP-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 WO disclosed
CN-115109019-B Dehydrocostuslactone derivative, and preparation method and application thereof 上海医药工业研究院 2024-02-02 CN disclosed
EP-4143165-A1 SPIROUREA DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2023-03-08 EP disclosed
CN-115702141-A Cyclobutyl-urea derivatives 爱杜西亚药品有限公司 2023-02-14 CN disclosed
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 CN disclosed
CN-115109019-A Dehydrocostuslactone derivative, preparation method and application thereof 上海医药工业研究院 2022-09-27 CN disclosed
EP-3559005-A1 THIENOPYRROLE DERIVATIVES FOR USE IN TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Biotheryx Inc. (US) 2019-10-30 EP disclosed
WO-2018118947-A1 THIENOPYRROLE DERIVATIVES FOR USE IN TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2018-06-28 WO disclosed
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 US disclosed
EP-3201174-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS The Royal Institution for the Advancement of Learning / McGill University (CA) 2017-08-09 EP disclosed
WO-2016049774-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-04-07 WO disclosed
EP-2379519-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES AstraZeneca AB (SE) 2011-10-26 EP disclosed
WO-2010071567-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
EP-1828186-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
WO-2006065703-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 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 (1 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-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS AR, UTS2R, SHBG MIF 4820/4885GRIN2B 2498/4885ACP3 213/4885

“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.