SCHEMBL977870

SCHEMBL977870

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
CYP3A4 P08684 2/20 0.57
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2E1 P05181 1/20 0.57
CYP2C8 P10632 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP4B1 P13584 1/20 0.57
CYP2B6 P20813 1/20 0.57
CYP3A5 P20815 1/20 0.57
CYP2A7 P20853 1/20 0.57
CYP3A7 P24462 1/20 0.57
CYP2F1 P24903 1/20 0.57
CYP2C18 P33260 1/20 0.57
CYP2C19 P33261 1/20 0.57
CYP2J2 P51589 1/20 0.57

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
SCHEMBL3789262 0.88 FYN (0.51) HDAC4HDAC2HDAC8CYP3A4CYP1A1
SCHEMBL29384037 0.88 CYP1A1 (0.72) HDAC4HDAC2HDAC8CYP3A4CYP1A1
SCHEMBL6259929 0.87 CYP3A4 (0.56) HDAC4HDAC2HDAC8CYP3A4CYP1A1
SCHEMBL982929 0.87 CYP3A4 (0.77) HDAC4HDAC2HDAC8CYP3A4CYP1A1
SCHEMBL3790187 0.85 CYP3A4 (0.58) HDAC4HDAC2HDAC8CYP3A4CYP1A1
SCHEMBL14003309 0.83 ALDH1A1 (0.50) HDAC4HDAC2HDAC8CYP3A4ALDH1A1
SCHEMBL3789651 0.81 ALDH1A1 (0.58) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL1039794 0.81 HTR7 (0.55) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL2783622 0.81 DHFR (0.55) HDAC4HDAC2HDAC8CYP3A4ALDH1A1
SCHEMBL29572032 0.80 KDM4E (0.64) HDAC4HDAC2HDAC8CYP3A4CYP1A1

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-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
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
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 US disclosed
EP-0089426-B1 2-AMINO-6-BIPHENYLACETIC ACIDS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-06-11 EP disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 US disclosed
EP-0089426-A1 2-Amino-6-biphenylacetic acids A.H. ROBINS COMPANY, INCORPORATED (US) 1983-09-28 EP disclosed
US-4333951-A MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INC. (US) 1982-06-08 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 (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 HDAC4 3300/4885HDAC2 1409/4885HDAC8 3493/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HDAC4 4049/4885HDAC2 2094/4885HDAC8 4222/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HDAC4 3300/4885HDAC2 1409/4885HDAC8 3493/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 HDAC4 668/4885HDAC2 807/4885HDAC8 289/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK HDAC4 3300/4885HDAC2 1409/4885HDAC8 3493/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 HDAC4 3144/4885HDAC2 1111/4885HDAC8 2750/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HDAC4 3481/4885HDAC2 1530/4885HDAC8 3648/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HDAC4 3481/4885HDAC2 1530/4885HDAC8 3648/4885

“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.