SCHEMBL77464

SCHEMBL77464

Oc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA9 Q16790 1/20 0.57
HCAR1 Q9BXC0 1/20 0.41
PTGS1 P23219 3/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KIF11 P52732 1/20 0.39
CES2 O00748 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
IDO1 P14902 2/20 0.35
P2RX1 P51575 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSD17B1 P14061 2/20 0.34

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
SCHEMBL29452900 1.00 CA12 (0.57) CA12CA1CA9HCAR1PTGS1
SCHEMBL186842 0.84 GABRA1 (0.52) CA12CA1CA9PTGS1RXRA
SCHEMBL69029 0.84 PTGS1 (0.52) CA12CA1CA9PTGS1KIF11
SCHEMBL29319890 0.82 RXRA (0.50) CA12CA1CA9PTGS1RXRA
SCHEMBL21944981 0.82 CA12 (0.48) CA12CA1CA9HCAR1PTGS1
SCHEMBL29886876 0.81 CES2 (0.56) PTGS1RXRARXRBRXRGKIF11
SCHEMBL29005991 0.81 GABRA1 (0.50) PTGS1RXRARXRBRXRGKIF11
Water SCHEMBL21493255 0.81 GABRA1 (0.50) PTGS1RXRARXRBRXRGKIF11
SCHEMBL29384937 0.81 GABRA1 (0.50) PTGS1RXRARXRBRXRGKIF11
SCHEMBL9693899 0.81 CES2 (0.42) CA12CA1CA9RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US claimed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP claimed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US claimed
CN-105008368-B 2,3-dihydroimidazol[1,2-c]pyrimidin-5(1h)-one based lipoprotein-associated phospholipase a2 (Lp-PLA2) inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2017-02-01 CN claimed
CN-106232586-A Diaminotriazine compounds and their use as herbicides 巴斯夫欧洲公司 2016-12-14 CN claimed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO claimed
US-5985867-A TREATING HIV INFECTION DUPONT PHARMACEUTICALS COMPANY (US) 1999-11-16 US claimed
US-20260116891-A1 Oxazepin Derivative TEIJIN PHARMA LTD (JP) 2026-04-30 US disclosed
EP-4055016-B1 GPR52 MODULATOR COMPOUNDS NXERA PHARMA UK LTD (GB) 2026-04-29 EP disclosed
WO-2025264837-A1 NAPHTHYRIDINE GPR52 MODULATORS AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2025-12-26 WO disclosed
WO-2025264844-A1 HETEROCYCLIC GPR52 MODULATORS AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2025-12-26 WO disclosed
US-20250115558-A1 PYRIDAZINE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2025-04-10 US disclosed
EP-4512811-A1 OXAZEPINE DERIVATIVE Teijin Pharma Limited (JP) 2025-02-26 EP disclosed
WO-2005000794-A1 PROPIONAMIDE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2005-01-06 WO disclosed
EP-0949248-B1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA CHEMICAL IND CO LTD (JP) 2003-10-08 EP disclosed
US-6200933-B1 LOW TOXICITY TO HUMANS AND CATTLE KUREHA KAGAKU KABUSHIKI KAISHA (JP) 2001-03-13 US disclosed
EP-0973767-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-01-26 EP disclosed
US-5985867-A TREATING HIV INFECTION DUPONT PHARMACEUTICALS COMPANY (US) 1999-11-16 US disclosed
EP-0949248-A1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-10-13 EP disclosed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 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 (4 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-20250115558-A1 PYRIDAZINE DERIVATIVES AND RELATED USES IL1B, NLRP3, NOD1 CA12 4772/4885CA1 4518/4885CA9 4660/4885
US-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 CA12 2929/4885CA1 965/4885CA9 4092/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 CA12 2954/4885CA1 986/4885CA9 4119/4885
US-20260116891-A1 Oxazepin Derivative HCRTR2, HCRTR1, OXTR CA12 913/4885CA1 765/4885CA9 2997/4885

“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.