SCHEMBL1662456

SCHEMBL1662456

COc1ccnc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.55
▸ CCR5 P51681 1/20 0.55
▸ CCR8 P51685 1/20 0.55
▸ NOS3 P29474 2/20 0.52
▸ NOS1 P29475 2/20 0.52
▸ NOS2 P35228 2/20 0.52
▸ LOXL2 Q9Y4K0 2/20 0.47
▸ SYK P43405 2/20 0.46
▸ LOX P28300 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ NFE2L2 Q16236 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ PHGDH O43175 1/20 0.40

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
SCHEMBL31672761 0.86 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL31691996 0.86 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL27894825 0.83 LOXL2 (0.50) LOXL2LOXLRRK2NOTUMIDO1
SCHEMBL15832073 0.83 TRPA1 (0.48) CCR1CCR5CCR8NOS3NOS1
SCHEMBL10200740 0.82 LOXL2 (0.46) CCR1CCR5CCR8LOXL2LOX
SCHEMBL2739650 0.82 CCR1 (0.57) CCR1CCR5CCR8NOS3NOS1
SCHEMBL1662471 0.81 LOXL2 (0.49) LOXL2SYKLOXPTGS1PTGS2
SCHEMBL11327112 0.80 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL15212096 0.80 NOS3 (0.57) CCR1CCR5CCR8NOS3NOS1
SCHEMBL15832066 0.79 AR (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479820-B2 Pyridin-3-yl derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-11-25 — — US disclosed
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 — — US disclosed
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2023-03-16 — — US disclosed
US-20220251068-A1 PYRIDIN-3-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-11 — — US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 — — US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 — — US disclosed
US-20210198241-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2021-07-01 — — US disclosed
EP-3765459-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Shire Human Genetic Therapies, Inc. (US) 2021-01-20 — — EP disclosed
CN-112135825-A Plasma kallikrein inhibitors and uses thereof 夏尔人类遗传性治疗公司 2020-12-25 — — CN disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 — — US disclosed
CN-105209453-A Methylene linked quinolinyl modulators of ROR-gamma-T JANSSEN PHARMACEUTICA NV 2015-12-30 — — CN disclosed
CN-105073729-A Phenyl-linked quinolinyl modulators of ROR γ t JANSSEN PHARMACEUTICA NV 2015-11-18 — — CN disclosed
CN-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 — — CN disclosed
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 — — US disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 — — US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 — — US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 — — US disclosed
EP-1458685-B1 SUBSTITUTED PHENYL DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2007-05-02 — — EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 — — 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 (8 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 CCR1 2094/4885CCR5 2211/4885CCR8 1588/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 CCR1 2094/4885CCR5 2211/4885CCR8 1588/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ CCR1 866/4885CCR5 830/4885CCR8 1624/4885
US-20220251068-A1 PYRIDIN-3-YL DERIVATIVES LPAR1, LPAR3, LPAR2 CCR1 767/4885CCR5 911/4885CCR8 2222/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 CCR1 2094/4885CCR5 2211/4885CCR8 1588/4885
US-20210198241-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS TRPV1, TRPA1, SCN2B CCR1 4416/4885CCR5 3539/4885CCR8 3991/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 CCR1 2094/4885CCR5 2211/4885CCR8 1588/4885
US-12479820-B2 Pyridin-3-yl derivatives LPAR1, LPAR3, LPAR2 CCR1 767/4885CCR5 911/4885CCR8 2222/4885

“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.

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