SCHEMBL2201230

SCHEMBL2201230

FC(F)(F)c1ccc2c(S)ccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
NCF1 P14598 1/20 0.52
PARP1 P09874 1/20 0.50
GAK O14976 1/20 0.47
GRM4 Q14833 1/20 0.46
GSK3A P49840 4/20 0.45
GSK3B P49841 4/20 0.45
CLK4 Q9HAZ1 4/20 0.45
KDR P35968 3/20 0.45
DYRK1A Q13627 3/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
AURKB Q96GD4 2/20 0.45
PRKD2 Q9BZL6 2/20 0.45
DYRK3 O43781 2/20 0.45
STK17A Q9UEE5 2/20 0.45
CLK2 P49760 2/20 0.45
CDK5 Q00535 2/20 0.45
PLK4 O00444 1/20 0.45
CHEK2 O96017 1/20 0.45

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
SCHEMBL31121093 1.00 ADRB2 (0.52) ADRB2NCF1PARP1GAKGRM4
SCHEMBL16248020 0.85 CCNC (0.49) ADRB2NCF1PARP1GAKGSK3B
SCHEMBL18582354 0.81 ADRB2 (0.52) ADRB2NCF1PARP1GAKGRM4
SCHEMBL22854 0.81 ADRB2 (0.52) ADRB2NCF1PARP1GAKGRM4
SCHEMBL30174440 0.81 ADRB2 (0.52) ADRB2NCF1PARP1GAKGRM4
SCHEMBL9829215 0.80 ADRB2 (0.51) ADRB2NCF1PARP1GAKGRM4
SCHEMBL1980284 0.80 NR4A2 (0.56) ADRB2NCF1PARP1GAKGRM4
SCHEMBL2345433 0.80 ADRB2 (0.51) ADRB2NCF1PARP1GAKGRM4
SCHEMBL11769140 0.80 ADRB2 (0.51) ADRB2NCF1PARP1GAKGRM4
SCHEMBL18535272 0.80 ADRB2 (0.51) ADRB2NCF1PARP1GAKGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011141642-A1 ABSORBING SOLUTION CONTAINING A DEGRADATION INHIBITOR DERIVED FROM PYRIDINE, AND METHOD FOR ABSORBING ACIDIC COMPOUNDS CONTAINED IN A GASEOUS EFFLUENT IFP Energies Nouvelles (FR) 2011-11-17 WO claimed
EP-1069211-A2 Electroplating solutions THE BOC GROUP, INC. (US) 2001-01-17 EP claimed
US-6423486-B1 None US disclosed
WO-2023169391-A1 HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-09-14 WO disclosed
EP-2259377-B1 SOLAR CELL SHARP KK (JP) 2020-06-03 EP disclosed
US-10472352-B2 Rac inhibitors Geneyus LLC (US) 2019-11-12 US disclosed
US-10472352-B2 Rac inhibitors Geneyus LLC (US) 2019-11-12 US disclosed
CN-109868133-A A kind of particle and preparation method thereof TCL集团股份有限公司 2019-06-11 CN disclosed
CN-109868139-A A kind of particle and preparation method thereof TCL集团股份有限公司 2019-06-11 CN disclosed
CN-109868135-A A kind of particle and preparation method thereof TCL集团股份有限公司 2019-06-11 CN disclosed
CN-109868134-A A kind of particle and preparation method thereof TCL集团股份有限公司 2019-06-11 CN disclosed
EP-0748464-A1 SENSITIZERS FOR PHOTOTHERMOGRAPHIC ELEMENTS Imation Corp (a Delaware Corporation) (US) 1996-12-18 EP disclosed
WO-1996033442-A1 SPECTRAL SENSITIZING DYES FOR PHOTOTHERMOGRAPHIC ELEMENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-24 WO disclosed
US-5541054-A CYANINE DYE AS SENSITIZER MINNESOTA MINING & MANUFACTURING COMPANY (US) 1996-07-30 US disclosed
WO-1995023355-A1 SENSITIZERS FOR PHOTOTHERMOGRAPHIC ELEMENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-31 WO disclosed
US-5441866-A Benzothiazole-type cyanine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-15 US disclosed
EP-0623140-A1 NOVEL 19-NOR STEROIDS HAVING A THIOCARBON-CONTAINING CHAIN IN THE 11BETA POSITION, A METHOD FOR PREPARING SAME AND INTERMEDIATES THEREFOR, MEDICINAL USES THEREOF AND COMPOSITIONS CONTAINING SAID STEROIDS ROUSSEL UCLAF (FR) 1994-11-09 EP disclosed
EP-0559228-A1 Photothermographic elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-09-08 EP disclosed
CN-1075722-A New steroide and method for making thereof, intermediate and application ROUSSEL UCLAF (FR) 1993-09-01 CN disclosed
WO-1993013123-A1 NOVEL 19-NOR STEROIDS HAVING A THIOCARBON-CONTAINING CHAIN IN THE 11BETA POSITION, A METHOD FOR PREPARING SAME AND INTERMEDIATES THEREFOR, MEDICINAL USES THEREOF AND COMPOSITIONS CONTAINING SAID STEROIDS ROUSSEL-UCLAF (FR) 1993-07-08 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 (1 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-10472352-B2 Rac inhibitors ARHGDIB, ARHGDIA, RAC1 ADRB2 3339/4885NCF1 238/4885PARP1 1096/4885

“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.