SCHEMBL1323002

SCHEMBL1323002

CCOc1nc(N2CCNCC2)nc2c1sc1nc(-c3ccccc3)nc(C)c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 7/20 0.42
▸ HTR2C P28335 2/20 0.41
▸ CETP P11597 1/20 0.41
▸ PDE5A O76074 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ KHK P50053 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL2614833 0.98 PRKCI (0.41) PRKCIHTR2CCETPPDE5AP2RY12
SCHEMBL1322247 0.93 PRKCI (0.39) PRKCIHTR2CCETPPDE5AP2RY12
SCHEMBL2614835 0.91 PRKCI (0.41) PRKCIHTR2CPDE5A
SCHEMBL1320675 0.91 PRKCI (0.41) PRKCIHTR2CPDE5A
SCHEMBL2614837 0.90 PRKCI (0.40) PRKCIHTR2CPDE5AP2RY12
SCHEMBL1320912 0.90 PRKCI (0.50) PRKCIHTR2C
SCHEMBL1322420 0.90 ALDH1A1 (0.40) PRKCIHTR2CALDH1A1HPGDKDM4E
SCHEMBL1322561 0.90 PRKCI (0.41) PRKCIHTR2CPDE5AP2RY12ALDH1A1
SCHEMBL2855292 0.90 P2RY12 (0.41) PRKCIHTR2CPDE5AP2RY12ALDH1A1
SCHEMBL13513554 0.89 PRKCI (0.40) PRKCIHTR2CPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778804-B1 SINGLE-COMPONENT SYSTEM BASED ON CO-REACTIVE LATEX, PREPARATION METHOD AND USE IN THE FIELD OF FORMOL-FREE COATINGS ARKEMA FRANCE (FR) 2010-01-20 — — EP claimed
EP-0875541-B1 Single phase system based on coreactive latex resins ATOFINA (FR) 2003-09-10 — — EP claimed
EP-0875540-B1 Single phase system based on coreactive latex resins ATOFINA (FR) 2002-11-13 — — EP claimed
EP-0875540-A1 Single phase system based on coreactive latex resins ELF ATOCHEM S.A. (FR) 1998-11-04 — — EP claimed
EP-0875541-A1 Single phase system based on coreactive latex resins ELF ATOCHEM S.A. (FR) 1998-11-04 — — EP claimed
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 — — US disclosed
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 — — US disclosed
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 — — US disclosed
US-8058285-B2 Phosphodiesterase-4 (PDE-4) inhibitors; for treating bronchial asthma, COPD, rheumatoid arthritis (RA), osteoarthritis, cystic fibrosis, Guillain-Barresyndrome, Crohn's disease, ulcerative colitis, psoriasis, atopic dermatitis, allergic eczemas THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-11-15 — — US disclosed
US-8058285-B2 Phosphodiesterase-4 (PDE-4) inhibitors; for treating bronchial asthma, COPD, rheumatoid arthritis (RA), osteoarthritis, cystic fibrosis, Guillain-Barresyndrome, Crohn's disease, ulcerative colitis, psoriasis, atopic dermatitis, allergic eczemas THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-11-15 — — US disclosed
US-8058285-B2 Phosphodiesterase-4 (PDE-4) inhibitors; for treating bronchial asthma, COPD, rheumatoid arthritis (RA), osteoarthritis, cystic fibrosis, Guillain-Barresyndrome, Crohn's disease, ulcerative colitis, psoriasis, atopic dermatitis, allergic eczemas THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-11-15 — — US disclosed
EP-1773840-B1 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3',2':4,5]FURO[3,2-D]-PYRIMIDINES FOR USE AS INHIBITORS OF PDA-4 AND/OR TNF-ALPHA RELEASE MEDICINES CO LEIPZIG GMBH (DE) 2010-01-20 — — EP disclosed
EP-1773840-A1 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3',2':4,5]FURO[3,2-D]-PYRIMIDINES FOR USE AS INHIBITORS OF PDA-4 AND/OR TNF-ALPHA RELEASE Curacyte Discovery GmbH (DE) 2007-04-18 — — EP disclosed
WO-2006010567-A1 SUBSTITUTED PYRIDO[3', 2': 4, 5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3', 2': 4, 5]FURO[3, 2, D]PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF$G(A) CURACYTE DISCOVERY GMBH (DE) 2006-02-02 — — WO disclosed
WO-2006010567-A1 SUBSTITUTED PYRIDO[3', 2': 4, 5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3', 2': 4, 5]FURO[3, 2, D]PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF$G(A) CURACYTE DISCOVERY GMBH (DE) 2006-02-02 — — WO disclosed
EP-0875541-B1 Single phase system based on coreactive latex resins ATOFINA (FR) 2003-09-10 — — EP disclosed
EP-0875540-B1 Single phase system based on coreactive latex resins ATOFINA (FR) 2002-11-13 — — EP disclosed
WO-2001054896-A2 MULTILAYER COMPOSITE PRODUCT COMPRISING A PRESSURE-SENSITIVE AND TEMPERATURE-RESISTANT ADHESIVE POLYMER LAYER ATOFINA (FR) 2001-08-02 — — WO disclosed
EP-0875540-A1 Single phase system based on coreactive latex resins ELF ATOCHEM S.A. (FR) 1998-11-04 — — EP disclosed
EP-0875541-A1 Single phase system based on coreactive latex resins ELF ATOCHEM S.A. (FR) 1998-11-04 — — 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 (1 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-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha PDE4A, PDE4B, PDE3B PRKCI 2308/4885HTR2C 1597/4885CETP 2563/4885

“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.

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