SCHEMBL1862437

SCHEMBL1862437

Cc1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.53
NOTUM Q6P988 2/20 0.42
CTSS P25774 3/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CTSK P43235 2/20 0.39
HSD11B1 P28845 2/20 0.39
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
SCN8A Q9UQD0 1/20 0.36

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
SCHEMBL27417839 0.84 GABRA1 (0.42) P2RX7NOTUMCTSSGABRA1GABRB2
SCHEMBL1043059 0.83 P2RX7 (0.57) P2RX7NOTUMCTSSCTSKPDK2
SCHEMBL22592568 0.83 P2RX7 (0.38) P2RX7NOTUMGABRA1GABRB2HSD11B1
SCHEMBL631113 0.79 GABRA1 (0.40) P2RX7GABRA1GABRB2PDK1PDK2
SCHEMBL9626847 0.79 GABRA1 (0.56) P2RX7GABRA1GABRB2PDK1PDK2
SCHEMBL8321560 0.79 P2RX7 (0.41) P2RX7NOTUMCTSSHSD11B1
SCHEMBL802989 0.77 P2RX7 (0.53) P2RX7NOTUMCTSSGABRA1GABRB2
SCHEMBL28985428 0.77 GABRA1 (0.43) P2RX7GABRA1GABRB2PDK1PDK2
SCHEMBL23374933 0.77 PDK1 (0.44) P2RX7CTSSGABRA1GABRB2CTSK
SCHEMBL3821590 0.76 TRPA1 (0.48) P2RX7NOTUMCTSSGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
EP-3661921-B1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NODTHERA LTD (GB) 2023-10-18 EP disclosed
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
WO-2022271562-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-12-29 WO disclosed
EP-3174877-B1 INDOLIZINE DERIVATIVES WHICH ARE APPLICABLE TO NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2022-06-29 EP disclosed
CN-110078623-B Method for preparing 2,2 '-bis (trifluoromethyl) -4, 4' -dinitrobiphenyl 天津众泰材料科技有限公司 2022-05-06 CN disclosed
WO-2007017752-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2007-02-15 WO disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7157440-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-02 US disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US disclosed
US-6946449-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2005-09-20 US disclosed
WO-2004007519-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-01-22 WO disclosed
US-20030050275-A1 Partial and full agonists of A1 adenosine receptors GILEAD PALO ALTO, INC. 2003-03-13 US disclosed
US-4532353-A Substituted benzotrifluoride compounds as chemical intermediates and a process for their preparation MONSANTO CO. (US) 1985-07-30 US disclosed
EP-0008453-B1 PROCESS FOR PREPARING TRIFLUOROMETHYL AROMATIC COMPOUNDS BAYER AG (DE) 1981-04-29 EP 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 (7 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 P2RX7 2906/4885NOTUM 4230/4885CTSS 3833/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 P2RX7 741/4885NOTUM 2644/4885CTSS 2228/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 P2RX7 874/4885NOTUM 4299/4885CTSS 1067/4885
US-20030050275-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 P2RX7 38/4885NOTUM 3911/4885CTSS 3987/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 P2RX7 387/4885NOTUM 2402/4885CTSS 3008/4885
US-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 P2RX7 81/4885NOTUM 4345/4885CTSS 3261/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 P2RX7 2008/4885NOTUM 332/4885CTSS 3445/4885

“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.