SCHEMBL1458970

SCHEMBL1458970

COCCOc1cc(C)c(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35
NNMT P40261 1/20 0.33
TSHR P16473 1/20 0.33
FBP1 P09467 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK3 P27361 1/20 0.31
SLC6A4 P31645 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLAU P00749 1/20 0.31
HAO1 Q9UJM8 1/20 0.30

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
SCHEMBL24456633 0.95 L3MBTL1 (0.38) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL24456521 0.95 L3MBTL1 (0.38) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL24455989 0.95 L3MBTL1 (0.38) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL24456371 0.95 L3MBTL1 (0.38) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL24456331 0.95 L3MBTL1 (0.38) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL9936717 0.84 GABRP (0.42) NNMTTSHRALDH1A1MEN1KMT2A
SCHEMBL20870267 0.82 UHRF1 (0.47) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL1459785 0.79 GABRA1 (0.39) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL16783037 0.79 HTR7 (0.47)
SCHEMBL364584 0.79 NNMT (0.50) PIK3CANNMTFBP1ALDH1A1MEN1

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
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2020-05-26 US disclosed
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations JANSSEN PHARMACEUTICA NV (BE) 2019-02-05 US disclosed
US-10131648-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-11-20 US disclosed
US-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-10-23 US disclosed
US-20170362196-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 US disclosed
WO-2017180571-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO disclosed
WO-2017180457-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO disclosed
US-9790198-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2017-10-17 US disclosed
US-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US disclosed
US-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US disclosed
WO-2016057731-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-04-14 WO disclosed
US-20160102071-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-04-14 US disclosed
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 WO disclosed
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 US disclosed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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 (10 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-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS GPR119, GLP1R, GPR65 PIK3CA 3404/4885PIK3CD 3603/4885PIK3CB 3430/4885
US-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 PIK3CA 3662/4885PIK3CD 4273/4885PIK3CB 3547/4885
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations GPR119, GLP1R, GPR65 PIK3CA 3404/4885PIK3CD 3603/4885PIK3CB 3430/4885
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E PIK3CA 2798/4885PIK3CD 1128/4885PIK3CB 1221/4885
US-20170362196-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR52, GPR65 PIK3CA 2762/4885PIK3CD 3527/4885PIK3CB 2712/4885
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 PIK3CA 2762/4885PIK3CD 3527/4885PIK3CB 2712/4885
US-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR52 PIK3CA 3662/4885PIK3CD 4273/4885PIK3CB 3547/4885
US-10131648-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 PIK3CA 2762/4885PIK3CD 3527/4885PIK3CB 2712/4885
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 PIK3CA 1302/4885PIK3CD 828/4885PIK3CB 373/4885
US-20160102071-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR52, GPR65 PIK3CA 2762/4885PIK3CD 3527/4885PIK3CB 2712/4885

“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.