SCHEMBL1322642

SCHEMBL1322642

CCc1cc(-c2ccc(C)cc2)nc2sc3c(N4CCNCC4)nc(OCCO)nc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 4/20 0.42
▸ SLC29A1 Q99808 1/20 0.36
▸ KHK P50053 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ PRKCZ Q05513 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SYK P43405 3/20 0.34
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ EPHA3 P29320 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ USP28 Q96RU2 1/20 0.33
▸ USP25 Q9UHP3 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1320347 0.92 PRKCI (0.44) PRKCIKHKMAPK13MAPK12MAPK11
SCHEMBL1323073 0.86 PRKCI (0.40) PRKCIKHKPRKCZIKBKBCHUK
SCHEMBL1321646 0.86 PRKCI (0.43) PRKCIKHKMAPK13MAPK12MAPK11
SCHEMBL1320588 0.85 PRKCI (0.42) PRKCIKHKPRKCZTSHRKMT2A
Hydrochloric Acid SCHEMBL1322187 0.85 PRKCI (0.42) PRKCIKHKMAPK13MAPK12MAPK11
SCHEMBL1322263 0.84 PRKCI (0.50) PRKCISLC29A1KHKPRKCZSMN1; SMN2
SCHEMBL1321699 0.84 PRKCI (0.52) PRKCIKHKMAPK13MAPK12MAPK11
SCHEMBL1321071 0.80 PRKCI (0.41) PRKCIKHKSMN1; SMN2SYKTSHR
SCHEMBL1322016 0.79 PRKCI (0.50) PRKCIPRKCZTSHRKMT2ANPSR1
SCHEMBL1321504 0.79 HTR2C (0.41) PRKCIKHKMAPK13MAPK12MAPK11

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 4 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

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 2561/4885SLC29A1 1782/4885KHK 1733/4885
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 2308/4885SLC29A1 1943/4885KHK 1370/4885

“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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