SCHEMBL257981

SCHEMBL257981

COc1ccc(Oc2ccc(N)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 4/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
BRCA1 P38398 1/20 0.49
HBB P68871 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TEAD4 Q15561 1/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 3/20 0.47
MAOA P21397 2/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
APAF1 O14727 1/20 0.44

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
SCHEMBL177968 0.85 KDM4E (0.61) ALDH1A1TDP1CYP3A4TSHRKDM4E
SCHEMBL8736438 0.83 MEN1 (0.53) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL5183004 0.81 MEN1 (0.54) ALDH1A1CYP3A4KDM4EMEN1KMT2A
SCHEMBL6292408 0.81 NNMT (0.40) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL113293 0.80
SCHEMBL29536663 0.80
SCHEMBL30879456 0.79 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL5569420 0.79 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5649941 0.78 KDM4E (0.56) ALDH1A1TDP1CYP3A4KDM4EMEN1
Hydrochloric Acid SCHEMBL5645807 0.78 KDM4E (0.56) ALDH1A1TDP1CYP3A4KDM4EMEN1

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-1379507-B1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-08-17 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 ALDH1A1 1875/4885TDP1 1255/4885CYP3A4 2132/4885
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 ALDH1A1 1451/4885TDP1 1729/4885CYP3A4 1809/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 ALDH1A1 1451/4885TDP1 1729/4885CYP3A4 1809/4885
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BRAF, RAF1, ARAF ALDH1A1 2722/4885TDP1 1575/4885CYP3A4 2650/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF ALDH1A1 2759/4885TDP1 2205/4885CYP3A4 4030/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 ALDH1A1 1875/4885TDP1 1255/4885CYP3A4 2132/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF ALDH1A1 2759/4885TDP1 2205/4885CYP3A4 4030/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 ALDH1A1 2032/4885TDP1 1568/4885CYP3A4 3074/4885

“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.