SCHEMBL388490

SCHEMBL388490

O=C1CCN(c2nc(-c3cc(F)c(Cl)cc3F)nc3ccsc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.41
MTOR P42345 7/20 0.41
PIK3C2B O00750 1/20 0.39
CCNE2 O96020 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
KDR P35968 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R1 P27986 1/20 0.38
PRKCI P41743 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
Hydrochloric Acid SCHEMBL4508396 0.99 PIK3CA (0.41) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL4518887 0.96 PIK3CA (0.39) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL391776 0.88 PDE4A (0.44) PIK3CAMTORPIK3C2BCCNE2PRKACA
Hydrochloric Acid SCHEMBL4518915 0.87 PDE4A (0.43) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL4517579 0.87 PIK3CA (0.43) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL389433 0.86 HTR2C (0.50) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL386949 0.85 NPC1 (0.42) PIK3CAMTORPIK3C2BCCNE2PRKACA
Hydrochloric Acid SCHEMBL4519773 0.85 HTR2C (0.49) PIK3CAMTORPIK3C2BCCNE2PRKACA
Hydrochloric Acid SCHEMBL4524068 0.85 NPC1 (0.41) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL390110 0.84 PRKCI (0.43) PIK3CAMTORPIK3C2BCCNE2PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101626-B2 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed
EP-2253311-A2 Use of GPR119 receptor agonists for increasing bone mass and for treating osteoporosis, as well as combination therapy relating thereto Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-7816364-B2 GRP119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto ARENA PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. 2009-10-29 US disclosed
EP-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 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 (2 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-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto GPR119, GLP1R, GPR4 PIK3CA 1482/4885MTOR 3630/4885PIK3C2B 1728/4885
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto GPR119, GLP1R, GPR4 PIK3CA 1482/4885MTOR 3630/4885PIK3C2B 1728/4885

“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.