SCHEMBL5795534

SCHEMBL5795534

Cc1ccc(N)cc1-c1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
PLA2G7 Q13093 1/20 0.43
CASP1 P29466 4/20 0.42
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
PDE10A Q9Y233 2/20 0.39
RAF1 P04049 1/20 0.39
RET P07949 1/20 0.39
CSNK2A1 P68400 1/20 0.38
IMPDH2 P12268 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL7453950 0.81 CSNK2A1 (0.40) ALDH1A1TSHRCYP3A4RETCSNK2A1
SCHEMBL14003430 0.81 S1PR4 (0.39) ALDH1A1CYP3A4PDE10ACSNK2A1IMPDH2
SCHEMBL7451974 0.81 RET (0.36) ALDH1A1CYP3A4RETCSNK2A1IMPDH2
SCHEMBL7457314 0.80 CSNK2A1 (0.37) ALDH1A1TSHRCYP3A4PDE10ARET
Hydrochloric Acid SCHEMBL7453311 0.79 CSNK2A1 (0.42) ALDH1A1CYP3A4RETCSNK2A1IMPDH2
SCHEMBL1383424 0.78 PELI1 (0.54) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL20777196 0.78 CSNK2A1 (0.41) CYP3A4PDE10ACSNK2A1IMPDH2KDM4E
SCHEMBL10304989 0.78 ABL1 (0.41) ALDH1A1CYP3A4PDE10ACSNK2A1IMPDH2
SCHEMBL1018770 0.78 MAP4K4 (0.42) ALDH1A1CYP3A4RAF1RETCSNK2A1
SCHEMBL7459989 0.77 RET (0.36) ALDH1A1TSHRCYP3A4RETCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
CN-1913884-A Substituted benzazoles and methods of their use as inhibitors of RAF kinase CHIRON CORP (US) 2007-02-14 CN disclosed
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 EP disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 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 (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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF ALDH1A1 1216/4885PLA2G7 2897/4885CASP1 2059/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF ALDH1A1 1216/4885PLA2G7 2897/4885CASP1 2059/4885

“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.