SCHEMBL3769943

SCHEMBL3769943

COc1ccc(-c2cnc(Cl)nc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.58
PDGFRA P16234 3/20 0.58
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAK O14976 5/20 0.50
DYRK1A Q13627 3/20 0.50
KIT P10721 2/20 0.50
FYN P06241 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE4A P27815 1/20 0.47
CHEK1 O14757 1/20 0.47
CHEK2 O96017 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
DYRK1B Q9Y463 1/20 0.46

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
SCHEMBL13062526 0.84 FYN (0.55) FYNCHEK1CHEK2
SCHEMBL8204138 0.82 PDE4A (0.65) GAKPDE4A
SCHEMBL6029081 0.81 PDGFRB (0.58) PDGFRBPDGFRAGAKDYRK1AKIT
SCHEMBL27746938 0.80 KDM4E (0.64) PDGFRBPDGFRAMEN1KMT2AL3MBTL1
SCHEMBL8840880 0.79 PDE4A (0.67) PDGFRBPDGFRAMEN1KMT2AL3MBTL1
SCHEMBL5832416 0.79 PDGFRB (0.55) PDGFRBPDGFRAMEN1KMT2AGAK
SCHEMBL14438060 0.78 PDGFRB (0.58) PDGFRBPDGFRAGAKDYRK1AKIT
SCHEMBL14974281 0.78 PDGFRB (0.58) PDGFRBPDGFRAMEN1KMT2AL3MBTL1
SCHEMBL8173835 0.78 PDGFRB (0.64) PDGFRBPDGFRAGAKDYRK1AKIT
SCHEMBL5832414 0.77 PDGFRB (0.54) PDGFRBPDGFRAMEN1KMT2AGAK

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
EP-2688870-B1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-02-01 EP disclosed
US-8802673-B2 Heterocyclic amine derivatives Hoffmann-La Roche Inc (US) 2014-08-12 US disclosed
EP-2688870-A1 HETEROCYCLIC AMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 EP disclosed
US-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-09-27 US disclosed
WO-2012126922-A1 HETEROCYCLIC AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-1289985-B1 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO MCNEIL PHARM INC (US) 2003-12-10 EP disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase SUI ZHIHUA (US) 2003-09-04 US disclosed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
EP-1289985-A2 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-12 EP disclosed
US-6492358-B2 FOR TREATMENT OF SEXUAL DISORDERS, MALE ERECTILE DYSFUNCTION ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-10 US disclosed
US-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087038-A2 β-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 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 (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-20120245172-A1 HETEROCYCLIC AMINE DERIVATIVES TAAR1, TAAR5, MTNR1A PDGFRB 427/4885PDGFRA 331/4885MEN1 1204/4885
US-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A PDGFRB 791/4885PDGFRA 1238/4885MEN1 1450/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDGFRB 658/4885PDGFRA 746/4885MEN1 3647/4885
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A PDGFRB 791/4885PDGFRA 1238/4885MEN1 1450/4885

“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.