SCHEMBL177808

SCHEMBL177808

COc1ccc(N(C)c2ccc(N)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.70
MAPK1 P28482 2/20 0.70
ALDH1A1 P00352 3/20 0.67
CYP3A4 P08684 2/20 0.67
APP P05067 3/20 0.55
NR4A1 P22736 1/20 0.55
TP53 P04637 2/20 0.50
ALOX15 P16050 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
DHFR P00374 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL114319 0.89 CA1 (0.61) TDP1MAPK1ALDH1A1APPTP53
SCHEMBL21474112 0.88 TDP1 (0.53) TDP1MAPK1ALDH1A1CYP3A4APP
Hydrochloric Acid SCHEMBL29089898 0.86 CA1 (0.58) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL17817841 0.84 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL15746103 0.84 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL6538839 0.84 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL17032630 0.84 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL5097 0.83
SCHEMBL64766 0.83 ALDH1A1 (0.68) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL21474106 0.83 ALDH1A1 (0.68) TDP1MAPK1ALDH1A1CYP3A4APP

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147313-A1 HOLE TRANSPORTING MATERIAL 日本精化株式会社 2024-07-11 WO disclosed
WO-2014114582-A2 SECURITY ELEMENT HAVING VOLUME HOLOGRAM AND PRINTED FEATURE BAYER MATERIALSCIENCE AG (DE) 2014-07-31 WO 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-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
EP-1379505-B1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER PHARMACEUTICALS CORP (US) 2007-02-28 EP disclosed
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER HEALTHCARE LLC 2006-01-26 US disclosed
EP-1379507-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2004-01-14 EP disclosed
EP-1379505-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS Bayer Corporation (US) 2004-01-14 EP disclosed
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION 2003-11-06 US disclosed
WO-2002085859-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-31 WO disclosed
WO-2002085857-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS 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
US-4205988-A Photochromic method involving an aromatic amine ASAHI KASEI K. K. (JP) 1980-06-03 US 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-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BRAF, RAF1, ARAF TDP1 1575/4885MAPK1 137/4885ALDH1A1 2722/4885
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BRAF, RAF1, ARAF TDP1 1594/4885MAPK1 141/4885ALDH1A1 2726/4885
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BRAF, RAF1, ARAF TDP1 1575/4885MAPK1 137/4885ALDH1A1 2722/4885
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 TDP1 1272/4885MAPK1 1/4885ALDH1A1 3947/4885

“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.