SCHEMBL5407429

SCHEMBL5407429

CCc1c(F)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
HSD11B1 P28845 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
CD38 P28907 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.37
P2RX7 Q99572 2/20 0.36
FABP4 P15090 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGS2 P35354 1/20 0.35
RORC P51449 1/20 0.34
SLC22A12 Q96S37 1/20 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
SCHEMBL12313392 0.87 TAAR1 (0.43) SLC6A2SLC6A4TAAR1HSD11B1SMN1; SMN2
SCHEMBL12157171 0.84 SLC6A2 (0.42) SLC6A2SLC6A4STIM1ORAI1TAAR1
Bromide SCHEMBL25372266 0.82 SLC6A2 (0.40) SLC6A2SLC6A4STIM1ORAI1TAAR1
SCHEMBL19303142 0.81 HSD11B1 (0.41) SLC6A2SLC6A4STIM1ORAI1TAAR1
SCHEMBL19728344 0.80 SLC6A2 (0.42) SLC6A2SLC6A4STIM1ORAI1TAAR1
SCHEMBL19055379 0.80 SLC6A2 (0.39) SLC6A2SLC6A4STIM1ORAI1TAAR1
SCHEMBL91337 0.79 KDM4E (0.45) TAAR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL145819 0.79 SLC6A2 (0.40) SLC6A2SLC6A4STIM1ORAI1TAAR1
SCHEMBL13856265 0.79 TAAR1 (0.39) TAAR1HSD11B1SMN1; SMN2KDM4EP2RX7
SCHEMBL2776951 0.79 STIM1 (0.42) SLC6A2SLC6A4STIM1ORAI1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109761911-A A kind of preparation method of the polysubstituted pyrimidine derivative as Elagolix intermediate 安徽诺全药业有限公司 2019-05-17 CN claimed
WO-2023230543-A1 INDOLIZINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023230540-A2 INDAZOLE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023230542-A2 PYRAZOLO[1,5-a]PYRIDINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-18 US disclosed
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-18 US disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
WO-2008066356-A1 ARYL COMPOUNDS AS PPAR LIGANDS AND THEIR USE SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-06-05 WO disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
WO-2007145922-A2 BENZAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2007-12-21 WO disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 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 (5 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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 SLC6A2 4851/4885SLC6A4 4787/4885STIM1 881/4885
US-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS SLC6A2 3899/4885SLC6A4 2558/4885STIM1 4287/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD SLC6A2 3998/4885SLC6A4 2339/4885STIM1 4173/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 SLC6A2 4805/4885SLC6A4 4659/4885STIM1 3091/4885
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG SLC6A2 4861/4885SLC6A4 4847/4885STIM1 1213/4885

“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.