SCHEMBL177835

SCHEMBL177835

Nc1ccc(Sc2ccsc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
PDE7A Q13946 6/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ANXA2 P07355 1/20 0.39
S100A10 P60903 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM1A O60341 1/20 0.36
FBP1 P09467 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
DHFR P00374 1/20 0.35
PDE7B Q9NP56 1/20 0.34

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
SCHEMBL6665571 0.83 CYP2A6 (0.38) CYP3A4TSHRMAPK1CYP2C9CYP2C19
SCHEMBL9649049 0.80 CYP3A4 (1.00) CYP3A4TSHRMAPK1PDE7AMAPT
SCHEMBL10813732 0.80 CYP3A4 (1.00) CYP3A4TSHRMAPK1PDE7AMAPT
SCHEMBL9647766 0.80 CYP3A4 (1.00) CYP3A4TSHRMAPK1PDE7AMAPT
SCHEMBL9485438 0.80 CYP3A4 (1.00) CYP3A4TSHRMAPK1PDE7AMAPT
SCHEMBL9485453 0.80 CYP3A4 (1.00) CYP3A4TSHRMAPK1PDE7AMAPT
SCHEMBL9647870 0.80 CYP3A4 (1.00) CYP3A4TSHRMAPK1PDE7AMAPT
4,4'-Thiodianiline SCHEMBL49068 0.80 CYP3A4 (1.00) CYP3A4TSHRMAPK1PDE7AMAPT
SCHEMBL9649030 0.80 CYP3A4 (1.00) CYP3A4TSHRMAPK1PDE7AMAPT
SCHEMBL1098379 0.80 CYP3A4 (1.00) CYP3A4TSHRMAPK1PDE7AMAPT

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION 2003-11-06 US disclosed
EP-1042305-A4 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER AG (US) 2003-05-14 EP disclosed
WO-2002085859-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-31 WO disclosed
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 US disclosed
EP-1049664-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS Bayer Corporation (US) 2000-11-08 EP disclosed
EP-1042305-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032436-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032463-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 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 (6 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 CYP3A4 1809/4885TSHR 3551/4885MAPK1 1/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 CYP3A4 1809/4885TSHR 3551/4885MAPK1 1/4885
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BRAF, RAF1, ARAF CYP3A4 2650/4885TSHR 3368/4885MAPK1 137/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 CYP3A4 2132/4885TSHR 3511/4885MAPK1 2/4885
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 CYP3A4 2733/4885TSHR 3707/4885MAPK1 1/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF CYP3A4 4030/4885TSHR 2259/4885MAPK1 148/4885

“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.