SCHEMBL1944207

SCHEMBL1944207

Cc1ccc(S(=O)(=O)O)cc1.Cn1nnn(-c2cc(Nc3ncc(F)c(NC4CC(C)(C)NC(C)(C)C4)n3)c(F)cc2C2CC2)c1=O

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD known ✓ O00329 3/20 0.33
KDR known ✓ P35968 3/20 0.32
BTK known ✓ Q06187 3/20 0.32
EGFR known ✓ P00533 2/20 0.32
FLT3 known ✓ P36888 2/20 0.32
ABL1 known ✓ P00519 1/20 0.32
ERBB2 known ✓ P04626 1/20 0.32
INSR known ✓ P06213 1/20 0.32
RET known ✓ P07949 1/20 0.32
IGF1R known ✓ P08069 1/20 0.32
PDGFRB known ✓ P09619 1/20 0.32
KIT known ✓ P10721 1/20 0.32
FLT1 known ✓ P17948 1/20 0.32
FLT4 known ✓ P35916 1/20 0.32
JAK3 known ✓ P52333 1/20 0.32
ITK known ✓ Q08881 1/20 0.32
PRKCQ Q04759 2/20 0.35
AURKA O14965 3/20 0.35
AURKB Q96GD4 3/20 0.35
ALK Q9UM73 8/20 0.33

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
SCHEMBL1946599 0.93 PRKCQ (0.35) PRKCQAURKAAURKBALKCSNK2A2
Sulfuric Acid SCHEMBL1944366 0.93 PRKCQ (0.35) PRKCQAURKAAURKBALKCSNK2A2
SCHEMBL1942477 0.91 PRKCQ (0.37) PRKCQAURKAAURKBALKCSNK2A2
Acetic Acid SCHEMBL1946734 0.88 AURKA (0.37) PRKCQAURKAAURKBALKCSNK2A2
SCHEMBL1942904 0.87 CSNK2A2 (0.36) PRKCQAURKAAURKBALKCSNK2A2
Benzoic Acid SCHEMBL1945412 0.87 AURKA (0.39) PRKCQAURKAAURKBALKCSNK2A2
Maleic Acid SCHEMBL1944864 0.87 AURKA (0.35) PRKCQAURKAAURKBALKCSNK2A2
Fumaric Acid SCHEMBL1944776 0.87 AURKA (0.35) PRKCQAURKAAURKBALKCSNK2A2
SCHEMBL1942360 0.86 CSNK2A2 (0.36) PRKCQAURKAAURKBALKCSNK2A2
Citric Acid SCHEMBL1945466 0.84 AURKA (0.34) PRKCQAURKAAURKBALKCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 US disclosed
EP-2507227-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2012-10-10 EP disclosed
WO-2011068898-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 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 (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-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB PIK3CD 192/4885KDR 2942/4885BTK 248/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB PIK3CD 192/4885KDR 2942/4885BTK 248/4885

“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.