SCHEMBL128090

SCHEMBL128090

OC(c1c[c]ccc1)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL28216850 0.80 AOC3 (0.35)
SCHEMBL353016 0.76
SCHEMBL3610903 0.76
SCHEMBL3611304 0.76
SCHEMBL27281496 0.76 DPP4 (0.30)
SCHEMBL3609133 0.76
SCHEMBL27564071 0.76 TSHR (0.30)
SCHEMBL2478648 0.74 ESR1 (0.34) NR1I2ESR1ESR2
SCHEMBL10150435 0.73 ESR1 (0.31) ESR1ESR2
SCHEMBL3077737 0.73 AOC3 (0.47) NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019490-B1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-06-03 EP claimed
US-10111878-B2 N,6-bis(aryl or heteroaryl)-1,3,5-triazine-2,4-diamine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2018-10-30 US claimed
US-20170348318-A1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2017-12-07 US claimed
US-9724350-B2 N,6-bis(aryl or heteroaryl)-1,3,5-triazine-2,4-diamine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2017-08-08 US claimed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US claimed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP claimed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US claimed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP claimed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US claimed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2023-08-10 US disclosed
US-11505538-B1 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2022-11-22 US disclosed
CN-114933585-A Therapeutically active compounds and methods of use thereof 法国施维雅药厂 2022-08-23 CN disclosed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US disclosed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP disclosed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO 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-10111878-B2 N,6-bis(aryl or heteroaryl)-1,3,5-triazine-2,4-diamine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A NR1I2 554/4885ESR1 3738/4885ESR2 2058/4885
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R NR1I2 676/4885ESR1 2207/4885ESR2 3176/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R NR1I2 358/4885ESR1 3698/4885ESR2 3330/4885
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT NR1I2 4366/4885ESR1 3258/4885ESR2 1311/4885
US-11505538-B1 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT NR1I2 4366/4885ESR1 3258/4885ESR2 1311/4885
US-20170348318-A1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER IDH2, IDH3B, IDH3A NR1I2 554/4885ESR1 3738/4885ESR2 2058/4885

“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.