SCHEMBL1106476

SCHEMBL1106476

CC(C)n1cc(F)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
PTGDR2 Q9Y5Y4 4/20 0.43
NPY5R Q15761 1/20 0.40
PTGS2 P35354 1/20 0.40
BMPR1A P36894 9/20 0.38
ACVRL1 P37023 9/20 0.38
ACVR1 Q04771 9/20 0.38
BMPR1B O00238 8/20 0.38
TGFBR1 P36897 7/20 0.38
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CREBBP Q92793 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL10313007 0.80 TGFBR1 (0.39) ADORA2AADORA1PTGDR2PTGS2BMPR1A
SCHEMBL1106491 0.76 KDM4E (0.44) ADORA2AADORA1PTGDR2PTGS2BMPR1A
SCHEMBL10119732 0.74 PTGS2 (0.47) ADORA2AADORA1PTGDR2PTGS2BMPR1A
SCHEMBL20048155 0.74 ADORA2A (0.44) ADORA2AADORA1PTGDR2PTGS2BMPR1A
SCHEMBL628269 0.74 ADORA2A (0.38) ADORA2AADORA1PTGDR2PTGS2BMPR1A
SCHEMBL1106469 0.74 PTGDR2 (0.42) ADORA2AADORA1PTGDR2PTGS2BMPR1A
SCHEMBL14757564 0.74 ADORA2A (0.38) ADORA2AADORA1PTGDR2PTGS2BMPR1A
SCHEMBL506044 0.74 ADORA2A (0.38) ADORA2AADORA1PTGDR2PTGS2BMPR1A
SCHEMBL28643070 0.74 PTGS2 (0.47) ADORA2AADORA1PTGDR2PTGS2BMPR1A
SCHEMBL21483640 0.74 P2RX3 (0.39) ADORA2AADORA1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9487526-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US disclosed
US-8742120-B2 Methods of preparing factor xa inhibitors and salts thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20110152530-A1 METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2011-06-23 US disclosed
US-20110152530-A1 METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2011-06-23 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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 (5 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-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 ADORA2A 253/4885ADORA1 308/4885PTGDR2 283/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ADORA2A 1531/4885ADORA1 1096/4885PTGDR2 2260/4885
US-20110152530-A1 METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF F12, TFPI, F11 ADORA2A 3048/4885ADORA1 2429/4885PTGDR2 4345/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 ADORA2A 253/4885ADORA1 308/4885PTGDR2 283/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ADORA2A 1531/4885ADORA1 1096/4885PTGDR2 2260/4885

“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.