SCHEMBL8596452

SCHEMBL8596452

Fc1ncc(C(F)(F)F)c(F)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.33
ULK1 O75385 1/20 0.33
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
AURKA O14965 1/20 0.32
AXL P30530 1/20 0.31

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
SCHEMBL10791261 0.85
SCHEMBL21719315 0.79 ALOX5AP (0.31)
SCHEMBL10966385 0.77 RPS6KA5 (0.41) ASPHULK1JUNNFKB1NFKB2
SCHEMBL8596569 0.77 XPO1 (0.36) JUNNFKB1NFKB2RELA
SCHEMBL21719319 0.73
SCHEMBL9196036 0.73 AURKA (0.33) ULK1AURKAAXL
SCHEMBL6633129 0.70 KMT2A (0.39) ASPH
SCHEMBL9191163 0.70 AURKA (0.32) AURKA
SCHEMBL1162292 0.69
SCHEMBL10681454 0.68 CYP11B2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579020-B1 Process for the preparation of 5-(Trifluoromethyl) uracil and as new compounds 2,4-dichloro-5-trichloromethyl pyrimidine and 2,4-dufluoro-5-trifluoromethyl-pyrimidine BAYER AG (DE) 1998-01-21 EP claimed
US-5352787-A Process for the preparation of 5-(trifluoromethyl)-uracil, and the novel compounds 2,4-dichloro-5-trichloromethyl-pyrimidine and 2,4-difluoro-5-trifluoromethyl-pyrimidine BAYER AKTIENGESELLSCHAFT (DE) 1994-10-04 US claimed
EP-0579020-A1 Process for the preparation of 5-(Trifluoromethyl) uracil and as new compounds 2,4-dichloro-5-trichloromethyl pyrimidine and 2,4-dufluoro-5-trifluoromethyl-pyrimidine BAYER AG (DE) 1994-01-19 EP claimed
JP-6073023-A None JP disclosed
WO-2014076085-A1 NOVEL PROCESS FOR THE MANUFACTURE OF 2,4-DICHLORO-5-TRIFLUOROMETHYL-PYRIMIDINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-22 WO disclosed
US-20140135497-A1 SYNTHESIS OF 2,4-DICHLORO-5-TRIFLUOROMETHYL-PYRIMIDINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-15 US disclosed
US-20140135497-A1 SYNTHESIS OF 2,4-DICHLORO-5-TRIFLUOROMETHYL-PYRIMIDINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-15 US disclosed
EP-0579020-B1 Process for the preparation of 5-(Trifluoromethyl) uracil and as new compounds 2,4-dichloro-5-trichloromethyl pyrimidine and 2,4-dufluoro-5-trifluoromethyl-pyrimidine BAYER AG (DE) 1998-01-21 EP disclosed
EP-0579020-B1 Process for the preparation of 5-(Trifluoromethyl) uracil and as new compounds 2,4-dichloro-5-trichloromethyl pyrimidine and 2,4-dufluoro-5-trifluoromethyl-pyrimidine BAYER AG (DE) 1998-01-21 EP disclosed
US-5502173-A Process for the preparation of a substituted 2-amino-1-sulphonaphthalene BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5352787-A Process for the preparation of 5-(trifluoromethyl)-uracil, and the novel compounds 2,4-dichloro-5-trichloromethyl-pyrimidine and 2,4-difluoro-5-trifluoromethyl-pyrimidine BAYER AKTIENGESELLSCHAFT (DE) 1994-10-04 US disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4065446-A Reactive dyestuffs containing urea alkylene linkage between chromophore and reactive radical BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 US disclosed
US-4052386-A REACTIVE PHTHALOCYANINE DYESTUFFS CONTAINING A FLUOROPYRIMIDINYL GROUP BAYER AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-4024123-A TEXTILES DUSSY PAUL 1977-05-17 US disclosed
US-3989692-A PHTHALOCYANINE DYES, WOOL, SILK, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3957751-A WATER-SOLUBLE REACTIVE DYESTUFFS OF THE MONOAZO SERIES CONTAINING AN ACTIVE METHYLENE COUPLING COMPONENT HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 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-20140135497-A1 SYNTHESIS OF 2,4-DICHLORO-5-TRIFLUOROMETHYL-PYRIMIDINE DPYD, DHFR, DHPS ASPH 2951/4885ULK1 3006/4885JUN 1334/4885

“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.