SCHEMBL1773809

SCHEMBL1773809

O=S(=O)(c1ccccc1)n1cc(C2=CC=C2)c2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.50
CYP2C19 P33261 1/20 0.49
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
MET P08581 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
ELAVL1 Q15717 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL1772299 0.81 HTR6 (0.42) HTR6CYP2C19HTR1ADRD2HTR2A
SCHEMBL17165465 0.80 CCNC (0.52) HTR6CYP2C19CCNCCDK8CCNE1
SCHEMBL1267767 0.78 CYP2C19 (0.56) HTR6CYP2C19CCNCCDK8CCNE1
SCHEMBL29606686 0.78 HTR6 (0.51) HTR6CYP2C19CCNCCDK8CCNE1
SCHEMBL1772311 0.77 AGTR1 (0.39) HTR6METHTR1ADRD2HTR2A
SCHEMBL1773129 0.77 HTR6 (0.58) HTR6CYP2C19CCNE1CDK2MET
SCHEMBL1049380 0.77 HTR6 (0.55) HTR6CYP2C19CCNCCDK8CCNE1
SCHEMBL28312453 0.77 HTR6 (0.55) HTR6CYP2C19CCNCCDK8CCNE1
SCHEMBL1049986 0.77 CYP2C19 (0.49) HTR6CYP2C19CCNCCDK8CCNE1
SCHEMBL2529105 0.77 HTR6 (0.51) HTR6CYP2C19CCNCCDK8CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 WO 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-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF HTR6 4804/4885CYP2C19 2418/4885CCNC 700/4885

“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.