SCHEMBL1946599

SCHEMBL1946599

CS(=O)(=O)O.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

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 11)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 2/20 0.32
PRKCQ Q04759 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
ALK Q9UM73 13/20 0.33
BTK Q06187 2/20 0.32
SYK P43405 1/20 0.31
FLT3 P36888 1/20 0.31
ITK Q08881 1/20 0.31

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
Sulfuric Acid SCHEMBL1944366 0.98 PRKCQ (0.35) PRKCQAURKAAURKBCSNK2A2CSNK2A1
SCHEMBL1942477 0.96 PRKCQ (0.37) PRKCQAURKAAURKBCSNK2A2CSNK2A1
Acetic Acid SCHEMBL1946734 0.94 AURKA (0.37) PRKCQAURKAAURKBCSNK2A2CSNK2A1
SCHEMBL1944207 0.93 PRKCQ (0.35) PRKCQAURKAAURKBCSNK2A2CSNK2A1
Maleic Acid SCHEMBL1944864 0.92 AURKA (0.35) PRKCQAURKAAURKBCSNK2A2CSNK2A1
Fumaric Acid SCHEMBL1944776 0.92 AURKA (0.35) PRKCQAURKAAURKBCSNK2A2CSNK2A1
SCHEMBL1942904 0.91 CSNK2A2 (0.36) PRKCQAURKAAURKBCSNK2A2CSNK2A1
SCHEMBL1942360 0.91 CSNK2A2 (0.36) PRKCQAURKAAURKBCSNK2A2CSNK2A1
Benzoic Acid SCHEMBL1945412 0.91 AURKA (0.39) PRKCQAURKAAURKBCSNK2A2CSNK2A1
Citric Acid SCHEMBL1945466 0.89 AURKA (0.34) PRKCQAURKAAURKBCSNK2A2CSNK2A1

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 EGFR 2299/4885PRKCQ 5/4885AURKA 2000/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB EGFR 2299/4885PRKCQ 5/4885AURKA 2000/4885

“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.