SCHEMBL4723381

SCHEMBL4723381

CCOC(=O)c1sc2cnccc2c1Nc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
DHODH Q02127 3/20 0.50
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
GSK3B P49841 1/20 0.49
RPS6KA3 P51812 1/20 0.49
BRAF P15056 5/20 0.48
EIF2AK3 Q9NZJ5 2/20 0.48
MAPT P10636 7/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4723998 0.87 BRAF (0.46) DHODHRPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL5622222 0.86 BRAF (0.66) DHODHRPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL5623618 0.85 BRAF (0.52) DHODHRPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL24091065 0.83 KDM4E (0.52) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4792223 0.82 TDO2 (0.47) RPS6KB1CDK2GSK3BRPS6KA3BRAF
SCHEMBL17148975 0.81 ALDH1A1 (0.51) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL30338198 0.81 ALDH1A1 (0.51) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4339570 0.79 LMNA (0.52) FNTAFNTBDHODHMAPTALDH1A1
SCHEMBL14566794 0.78 RPS6KB1 (0.45) DHODHRPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL717339 0.78 ALDH1A1 (0.53) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3

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
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (1 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF FNTA 1381/4885FNTB 776/4885DHODH 1900/4885

“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.