SCHEMBL129092

SCHEMBL129092

Cc1cccc(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR8 P51685 1/20 0.48
IDH1 O75874 6/20 0.44
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
IDH2 P48735 1/20 0.44
HSD11B1 P28845 1/20 0.44
P2RX7 Q99572 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
NOTUM Q6P988 1/20 0.42
ADRB1 P08588 1/20 0.41
PTGS2 P35354 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CXCR4 P61073 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIN2B Q13224 1/20 0.38

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
Formic Acid SCHEMBL29117447 0.88 P2RX7 (0.44) CCR1CCR8IDH1NOS3NOS2
SCHEMBL955807 0.86 CCR1 (0.48) CCR1CCR8NOS3NOS2HSD11B1
SCHEMBL31596325 0.84 CCR1 (0.46) CCR1CCR8IDH1NOS3NOS2
SCHEMBL20909878 0.84 CCR1 (0.46) CCR1CCR8IDH1NOS3NOS2
SCHEMBL20892192 0.84 CCR1 (0.46) CCR1CCR8IDH1NOS3NOS2
SCHEMBL25791627 0.82 MBOAT4 (0.48) CCR1CCR8IDH1NOS3NOS2
SCHEMBL15255833 0.82 CCR1 (0.44) CCR1CCR8NOS3NOS2HSD11B1
SCHEMBL3295150 0.82 P2RX7 (0.50) IDH1IDH2P2RX7NOTUMADRB1
SCHEMBL128414 0.79 CCR1 (0.41) CCR1CCR8NOS3NOS2HSD11B1
SCHEMBL12817883 0.79 NOS3 (0.43) CCR1CCR8NOS3NOS2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2023-11-09 US claimed
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors INCYTE CORPORATION (US) 2023-06-13 US claimed
US-20210139485-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2021-05-13 US claimed
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-09-26 US claimed
US-10154995-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-12-18 US claimed
EP-3089788-B1 SERINE/THREONINE KINASE INHIBITORS GENENTECH INC (US) 2018-10-24 EP claimed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-20170348310-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-07 US claimed
US-9763942-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2017-09-19 US claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
WO-2015103133-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-07-09 WO claimed
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
US-7939548-B2 Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US claimed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US claimed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CCR1 3414/4885CCR8 4010/4885IDH1 3058/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 CCR1 3870/4885CCR8 4334/4885IDH1 1419/4885
US-10154995-B2 Serine/threonine kinase inhibitors MAP3K1, TTBK1, MAP3K11 CCR1 3316/4885CCR8 3924/4885IDH1 2070/4885
US-20210139485-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 CCR1 2319/4885CCR8 1994/4885IDH1 3032/4885
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 CCR1 2319/4885CCR8 1994/4885IDH1 3032/4885
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 CCR1 2319/4885CCR8 1994/4885IDH1 3032/4885
US-20170348310-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, TTBK1, MAP3K11 CCR1 3316/4885CCR8 3924/4885IDH1 2070/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CCR1 3414/4885CCR8 4010/4885IDH1 3058/4885
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 CCR1 2319/4885CCR8 1994/4885IDH1 3032/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CCR1 3414/4885CCR8 4010/4885IDH1 3058/4885

“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.