SCHEMBL1322519

SCHEMBL1322519

CCOc1ncnc2c1sc1ncccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 6/20 0.58
LIMK1 P53667 2/20 0.58
CDC7 O00311 1/20 0.58
DBF4 Q9UBU7 1/20 0.58
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PIK3CA P42336 1/20 0.48
EGFR P00533 1/20 0.45
KDM4E B2RXH2 3/20 0.45
TLR5 O60602 3/20 0.42
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14115537 0.79 CLK1 (0.61) CLK1LIMK1CDC7DBF4MAPT
SCHEMBL16281249 0.77 CLK1 (0.67) CLK1LIMK1CDC7DBF4MAPT
SCHEMBL9042411 0.74 CLK1 (0.67) CLK1LIMK1CDC7DBF4MAPT
SCHEMBL30093319 0.74 CLK1 (0.67) CLK1LIMK1CDC7DBF4MAPT
SCHEMBL12807147 0.74 CLK1 (1.00) CLK1LIMK1CDC7DBF4MAPT
SCHEMBL30187948 0.74 CLK1 (1.00) CLK1LIMK1CDC7DBF4MAPT
SCHEMBL20609579 0.74 CLK1 (0.61) CLK1LIMK1CDC7DBF4MAPT
SCHEMBL14090789 0.74 CLK1 (0.61) CLK1LIMK1CDC7DBF4MAPT
SCHEMBL16919875 0.69 CLK1 (0.55) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL16333296 0.69 RXFP1 (0.53) CLK1LIMK1CDC7DBF4MAPT

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 3 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
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 CLK1 3134/4885LIMK1 2951/4885CDC7 3074/4885
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 CLK1 3468/4885LIMK1 3390/4885CDC7 3154/4885

“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.