SCHEMBL1321542

SCHEMBL1321542

Cc1cc(-c2ccccc2)nc2sc3c(N4CCNCC4)nc(OC(C)C)nc3c12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 8/20 0.52
▸ PRKCZ Q05513 1/20 0.38
▸ HTR2C P28335 2/20 0.37
▸ CHRM4 P08173 2/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ATM Q13315 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
Hydrochloric Acid SCHEMBL5731202 0.99 PRKCI (0.51) PRKCIPRKCZHTR2CCHRM4KMT2A
SCHEMBL2614862 0.90 PRKCI (0.54) PRKCIPRKCZHTR2CCHRM4KMT2A
SCHEMBL2614863 0.87 PRKCI (0.52) PRKCIPRKCZHTR2CCHRM4KMT2A
Hydrochloric Acid SCHEMBL5729967 0.86 PRKCI (0.51) PRKCIPRKCZHTR2CCHRM4KMT2A
SCHEMBL1321209 0.86 PRKCI (0.49) PRKCIPRKCZHTR2CCHRM4KMT2A
SCHEMBL1322263 0.86 PRKCI (0.50) PRKCIPRKCZHTR2CCHRM4KMT2A
SCHEMBL1322016 0.86 PRKCI (0.50) PRKCIPRKCZHTR2CCHRM4KMT2A
SCHEMBL5731432 0.84 PRKCI (0.49) PRKCIPRKCZHTR2CCHRM4KMT2A
SCHEMBL5731616 0.84 PRKCI (0.54) PRKCIPRKCZCHRM4KMT2AKDM4E
SCHEMBL5730721 0.84 PRKCI (0.56) PRKCIPRKCZHTR2CCHRM4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20080160028-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 THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2008-07-03 — — US disclosed
EP-1619196-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) 2006-01-25 — — 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 (2 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-20080160028-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, PDE3B, PDE4B PRKCI 2561/4885PRKCZ 754/4885HTR2C 1711/4885
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 2308/4885PRKCZ 611/4885HTR2C 1597/4885

“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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