SCHEMBL257957

SCHEMBL257957

Cc1ccc(Sc2ccncc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.70
NOS1 P29475 1/20 0.70
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 5/20 0.47
MLYCD O95822 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.44
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGIR P43119 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.41
HKDC1 Q2TB90 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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) DDAH1NOS1MEN1KMT2ALMNA
SCHEMBL12245875 0.84 ACHE (0.57) MEN1KMT2ALMNAMLYCDHAO1
SCHEMBL11121834 0.84 ACHE (0.57) MEN1KMT2ALMNAMLYCDHAO1
SCHEMBL83853 0.84 ACHE (0.57) MEN1KMT2ALMNAMLYCDHAO1
Water SCHEMBL27795471 0.81 TDP1 (0.53) MEN1KMT2ALMNAMLYCDHAO1
SCHEMBL9923542 0.76 GRM5 (0.47) DDAH1NOS1MEN1KMT2ALMNA
SCHEMBL8361638 0.76 LMNA (0.45) LMNAHAO1SMN1; SMN2ALDH1A1NPC1
SCHEMBL257947 0.76 DDAH1 (0.56) DDAH1NOS1MEN1KMT2ASMN1; SMN2
SCHEMBL8737318 0.76 UHRF1 (0.50) DDAH1NOS1MEN1KMT2AMLYCD
SCHEMBL19540473 0.76 MLYCD (0.48) MEN1KMT2AMLYCDHAO1SMN1; SMN2

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 35 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
EP-1470121-B1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2012-07-11 EP 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
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US disclosed
US-7329670-B1 Inhibition of RAF kinase using aryl and heteroaryl substituted heterocyclic ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-02-12 US disclosed
US-7329670-B1 Inhibition of RAF kinase using aryl and heteroaryl substituted heterocyclic ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-02-12 US disclosed
US-20080009527-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2008-01-10 US disclosed
US-20080009527-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2008-01-10 US disclosed
EP-1470122-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-12-19 EP 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
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 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 DDAH1 1076/4885NOS1 333/4885MEN1 3545/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 DDAH1 1076/4885NOS1 333/4885MEN1 3545/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF DDAH1 1383/4885NOS1 2965/4885MEN1 2248/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 DDAH1 570/4885NOS1 401/4885MEN1 4566/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF DDAH1 1383/4885NOS1 2965/4885MEN1 2248/4885
US-20080009527-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF DDAH1 1563/4885NOS1 3355/4885MEN1 2970/4885

“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.