SCHEMBL982929

SCHEMBL982929

COc1ccc(-c2cccc(N)c2)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.77
CYP1A1 P04798 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2E1 P05181 1/20 0.77
CYP2C8 P10632 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2A6 P11509 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP4B1 P13584 1/20 0.77
CYP2B6 P20813 1/20 0.77
CYP3A5 P20815 1/20 0.77
CYP2A7 P20853 1/20 0.77
CYP3A7 P24462 1/20 0.77
CYP2F1 P24903 1/20 0.77
CYP2C18 P33260 1/20 0.77
CYP2C19 P33261 1/20 0.77
CYP2J2 P51589 1/20 0.77
CYP4F2 P78329 1/20 0.77
CYP4F8 P98187 1/20 0.77
CYP4A11 Q02928 1/20 0.77

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
SCHEMBL3792045 0.88 CYP3A4 (0.58) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL977870 0.87 HDAC4 (0.60) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL3789651 0.85 ALDH1A1 (0.58) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL5542543 0.81 CYP1A1 (0.80) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL3790187 0.81 CYP3A4 (0.58) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL1039794 0.81 HTR7 (0.55) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL7143439 0.81 CYP3A4 (0.62) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL5632975 0.80 CYP1A1 (0.79) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL5542539 0.80 CYP1A1 (0.77) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL3091866 0.78 CYP3A4 (0.76) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8

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 17 patents. 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-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP 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
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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 (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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP3A4 4198/4885CYP1A1 3821/4885CYP1A2 3832/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP3A4 3280/4885CYP1A1 3011/4885CYP1A2 3276/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP3A4 4198/4885CYP1A1 3821/4885CYP1A2 3832/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 CYP3A4 1573/4885CYP1A1 2506/4885CYP1A2 3690/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK CYP3A4 4198/4885CYP1A1 3821/4885CYP1A2 3832/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 CYP3A4 4807/4885CYP1A1 4763/4885CYP1A2 4700/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP3A4 4148/4885CYP1A1 3761/4885CYP1A2 3709/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP3A4 4148/4885CYP1A1 3761/4885CYP1A2 3709/4885

“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.