SCHEMBL257947

SCHEMBL257947

Cc1cccc(Sc2ccncc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.56
NOS1 P29475 1/20 0.56
GRM5 P41594 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ACHE P22303 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 4/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 3/20 0.40
HPGD P15428 1/20 0.40
GFER P55789 1/20 0.40
NT5E P21589 1/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL10710202 0.85 ACHE (0.52) GRM5ACHESMN1; SMN2HPGDGFER
SCHEMBL575896 0.85 ACHE (0.58) GRM5ACHESMN1; SMN2KMT2AMEN1
SCHEMBL29543680 0.85 ACHE (0.58) GRM5ACHESMN1; SMN2KMT2AMEN1
SCHEMBL29468631 0.85 ACHE (0.58) GRM5ACHESMN1; SMN2KMT2AMEN1
SCHEMBL14063556 0.84 KMT2A (0.56) DDAH1NOS1GRM5RAB9ANPC1
SCHEMBL3894284 0.83 ACHE (0.50) GRM5ACHESMN1; SMN2KMT2AMEN1
SCHEMBL11125164 0.81 ACHE (0.48) GRM5ACHESMN1; SMN2KMT2AMEN1
SCHEMBL822376 0.81 ACHE (0.48) GRM5ACHESMN1; SMN2KMT2AMEN1
SCHEMBL31038384 0.81 ACHE (0.48) GRM5ACHESMN1; SMN2KMT2AMEN1
SCHEMBL8737064 0.81 UHRF1 (0.52) GRM5ACHESMN1; SMN2MAPK14KMT2A

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 23 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-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-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
EP-2386545-A1 Heteroaryl ureas containing nitrogen hetero-atoms as P38 kinase inhibitors Bayer Healthcare LLC (US) 2011-11-16 EP disclosed
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP disclosed
US-20090093526-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHCARE LLC 2009-04-09 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 US disclosed
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 US disclosed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US disclosed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
EP-1379505-B1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER PHARMACEUTICALS CORP (US) 2007-02-28 EP 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 (8 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-20090093526-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 DDAH1 570/4885NOS1 401/4885GRM5 4121/4885
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 DDAH1 1076/4885NOS1 333/4885GRM5 4340/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 DDAH1 1076/4885NOS1 333/4885GRM5 4340/4885
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BRAF, RAF1, ARAF DDAH1 2902/4885NOS1 2580/4885GRM5 4631/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF DDAH1 1383/4885NOS1 2965/4885GRM5 4732/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 DDAH1 570/4885NOS1 401/4885GRM5 4121/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF DDAH1 1383/4885NOS1 2965/4885GRM5 4732/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 DDAH1 1201/4885NOS1 3284/4885GRM5 4636/4885

“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.