SCHEMBL177955

SCHEMBL177955

Nc1ccc(Sc2ccncc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.70
MAPK1 P28482 2/20 0.70
CYP3A4 P08684 2/20 0.70
DDAH1 O94760 1/20 0.70
NOS1 P29475 1/20 0.70
MAPT P10636 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM1 P11229 1/20 0.57
KCNA1 Q09470 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RAD52 P43351 1/20 0.48
ROCK2 O75116 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL144087 0.84 DDAH1 (1.00) TSHRMAPK1CYP3A4DDAH1NOS1
SCHEMBL9647870 0.84 CYP3A4 (1.00) TSHRMAPK1CYP3A4MAPTMEN1
SCHEMBL10813732 0.84 CYP3A4 (1.00) TSHRMAPK1CYP3A4MAPTMEN1
SCHEMBL1098379 0.84 CYP3A4 (1.00) TSHRMAPK1CYP3A4MAPTMEN1
4,4'-Thiodianiline SCHEMBL49068 0.84 CYP3A4 (1.00) TSHRMAPK1CYP3A4MAPTMEN1
SCHEMBL9485438 0.84 CYP3A4 (1.00) TSHRMAPK1CYP3A4MAPTMEN1
SCHEMBL9649030 0.84 CYP3A4 (1.00) TSHRMAPK1CYP3A4MAPTMEN1
SCHEMBL9485453 0.84 CYP3A4 (1.00) TSHRMAPK1CYP3A4MAPTMEN1
SCHEMBL9649049 0.84 CYP3A4 (1.00) TSHRMAPK1CYP3A4MAPTMEN1
SCHEMBL9647766 0.84 CYP3A4 (1.00) TSHRMAPK1CYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875014-B1 ANTI-MUCUS DRUGS AND USES THEREFOR UNIV WASHINGTON (US) 2017-11-29 EP disclosed
US-9187470-B2 Anti-mucus drugs and uses therefor WASHINGTON UNIVERSITY (US) 2015-11-17 US disclosed
US-9187470-B2 Anti-mucus drugs and uses therefor WASHINGTON UNIVERSITY (US) 2015-11-17 US disclosed
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-02 US disclosed
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-02 US disclosed
EP-1664039-B1 1,3-BENZOXAZOLYL DERIVATIVES AS KINASE-INHIBITORS MERCK PATENT GMBH (DE) 2014-03-05 EP disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
WO-2002085857-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION (US) 2002-10-31 WO 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-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
EP-1042305-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS Bayer Corporation (US) 2000-10-11 EP 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
WO-1999032106-A1 INHIBITION OF RAF KINASE 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 (4 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-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR MAPK13, MAPK11, MUC1 TSHR 3510/4885MAPK1 13/4885CYP3A4 1698/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 TSHR 3511/4885MAPK1 2/4885CYP3A4 2132/4885
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 TSHR 3707/4885MAPK1 1/4885CYP3A4 2733/4885
US-20120302587-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 TSHR 2786/4885MAPK1 227/4885CYP3A4 2878/4885

“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.