SCHEMBL1773229

SCHEMBL1773229

CCc1cc2cccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
PTGDR2 Q9Y5Y4 4/20 0.47
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SLC40A1 Q9NP59 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.41
PKM P14618 1/20 0.39
HTR6 P50406 1/20 0.39
ENPP1 P22413 1/20 0.39
MET P08581 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9701252 0.90 CYP2C19 (0.49) CYP2C19PTGDR2CCNE1CDK2RECQL
SCHEMBL27681189 0.88 CYP2C19 (0.52) CYP2C19PTGDR2CCNE1CDK2RECQL
SCHEMBL30337641 0.83 CYP2C19 (0.56) CYP2C19PTGDR2CCNE1CDK2RECQL
SCHEMBL1772416 0.83 CYP2C19 (0.56) CYP2C19PTGDR2CCNE1CDK2RECQL
SCHEMBL25153267 0.81 ENPP3 (0.44) CYP2C19PTGDR2LMNAMAPTTSHR
SCHEMBL30280436 0.81 ENPP3 (0.44) CYP2C19PTGDR2LMNAMAPTTSHR
SCHEMBL28497684 0.79 CYP2C19 (0.55) CYP2C19PTGDR2CCNE1CDK2RECQL
SCHEMBL1773438 0.79 CYP2C19 (0.55) CYP2C19PTGDR2CCNE1CDK2RECQL
SCHEMBL30559878 0.79 CYP2C19 (0.55) CYP2C19PTGDR2CCNE1CDK2RECQL
SCHEMBL2590156 0.79 CYP2C19 (0.55) CYP2C19PTGDR2CCNE1CDK2RECQL

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
WO-2021074279-A1 SPIRO-FUSED TRICYCLIC MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 WO disclosed
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 CYP2C19 2418/4885PTGDR2 2694/4885CCNE1 403/4885

“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.