SCHEMBL257973

SCHEMBL257973

Nc1ccc(C(O)c2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.59
CYP3A4 P08684 4/20 0.59
CYP11B1 P15538 3/20 0.59
CYP11B2 P19099 3/20 0.59
CYP17A1 P05093 3/20 0.59
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP2D6 P10635 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CHRM1 P11229 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
KCNA1 Q09470 1/20 0.52
RAD52 P43351 1/20 0.45
LTA4H P09960 1/20 0.41
CHEK2 O96017 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL7680971 0.85 CYP3A4 (0.67) CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL1357098 0.85 MAPT (0.50) CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL940290 0.81 CYP19A1 (0.60) CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL17064649 0.79 CA1 (0.51) CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL31090354 0.78 SMN1; SMN2 (0.72) CYP19A1CYP11B1CYP17A1SMN1; SMN2MEN1
SCHEMBL23882924 0.77 CYP19A1 (0.59) CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL2907043 0.77 CYP19A1 (0.68) CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL8737044 0.77 CYP19A1 (0.59) CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL5512809 0.77 CYP19A1 (0.59) CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL11196968 0.77 CYP19A1 (0.59) CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO 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-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 (10 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 CYP19A1 2794/4885CYP3A4 2132/4885CYP11B1 1162/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP19A1 2325/4885CYP3A4 4198/4885CYP11B1 2185/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP19A1 2465/4885CYP3A4 3280/4885CYP11B1 1981/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP19A1 2325/4885CYP3A4 4198/4885CYP11B1 2185/4885
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BRAF, RAF1, ARAF CYP19A1 4419/4885CYP3A4 2650/4885CYP11B1 4005/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF CYP19A1 4134/4885CYP3A4 4030/4885CYP11B1 4144/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 CYP19A1 2794/4885CYP3A4 2132/4885CYP11B1 1162/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP19A1 2345/4885CYP3A4 4148/4885CYP11B1 2280/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 CYP19A1 3383/4885CYP3A4 3074/4885CYP11B1 3100/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP19A1 2345/4885CYP3A4 4148/4885CYP11B1 2280/4885

“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.