SCHEMBL8489299

SCHEMBL8489299

CSc1ccc(Cl)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.44
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CRHR1 P34998 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL31396637 1.00 CCR2 (0.44) CCR2CYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL9476344 0.83 CYP3A4 (0.48) CYP3A4ALDH1A1HSD17B10MAPTNOX1
SCHEMBL8492853 0.81 CYP3A4 (0.48) CCR2CYP3A4ALDH1A1HSD17B10MAPT
SCHEMBL3787206 0.80 CCR2 (0.46) CCR2CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL11163826 0.79 CYP3A4 (0.46) CYP3A4ALDH1A1HSD17B10TSHRMAPT
SCHEMBL20274236 0.79 CYP3A4 (0.38) CCR2CYP3A4ALDH1A1HSD17B10MAPT
SCHEMBL8779862 0.78 ITGB2 (0.50) CCR2CYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL16676455 0.77 CYP3A4 (0.40) CCR2CYP3A4ALDH1A1HSD17B10MAPT
SCHEMBL735441 0.75 HSD17B10 (0.44) CYP3A4ALDH1A1HSD17B10TSHRMAPT
SCHEMBL16954941 0.74 CCR2 (0.42) CCR2CYP3A4ALDH1A1HSD17B10CRHR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 WO disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
EP-3333169-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2018-06-13 EP disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
WO-2015134366-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-11 WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
WO-2014032755-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-03-06 WO disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 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 (3 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-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 CCR2 372/4885CYP3A4 1039/4885ALDH1A1 1375/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 CCR2 372/4885CYP3A4 1039/4885ALDH1A1 1375/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 CCR2 372/4885CYP3A4 1039/4885ALDH1A1 1375/4885

“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.