SCHEMBL4246679

SCHEMBL4246679

Cc1nc(-c2ccc3c(N)ncnc3c2)sc1NC1CCCC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.44
CCNT1 O60563 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
MAP4K4 O95819 8/20 0.37
CD38 P28907 2/20 0.35
PDE4D Q08499 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
PI4KB Q9UBF8 1/20 0.33
IL1B P01584 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
IRAK1 P51617 1/20 0.33
TNF P01375 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
SCHEMBL4252175 0.89 PDE7A (0.52) PDE7AMAP4K4CD38PDE4D
SCHEMBL6453740 0.75 PDE7A (0.38) PDE7ACD38
SCHEMBL7147373 0.75 MAPK8 (0.39) PDE7APDE4DPI4KB
SCHEMBL4247482 0.72 SULT1A1 (0.42) PDE7APDE4DIRAK4PI4KB
SCHEMBL6450379 0.69 IP6K1 (0.39) PDE7A
SCHEMBL4254649 0.67 PDE7A (0.55) PDE7AMAP4K4PDE4D
SCHEMBL4254647 0.67 PDE7A (0.55) PDE7AMAP4K4PDE4D
SCHEMBL6454854 0.67 NPC1 (0.48) PDE7ACDK2PDE4DPI4KB
SCHEMBL4250347 0.61 PDE7A (1.00) PDE7APDE4D
SCHEMBL4250343 0.61 PDE7A (1.00) PDE7APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753340-B2 AUTOIMMUNE DISEASE, ANTIARTHRITIC AGENTS, ANTIALLERGENS, ANTICANCER AGENTS WARNER-LAMBERT COMPANY LLC 2004-06-22 US claimed
US-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors WARNER-LAMBERT COMPANY LLC 2003-10-09 US claimed
EP-1348701-A1 (2,4-disubstituted-thiazol-5-yl) amine compounds as PDE7 inhibitors Warner-Lambert Company LLC (US) 2003-10-01 EP claimed
US-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER INC. 2009-04-30 US disclosed
EP-1492778-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6753340-B2 AUTOIMMUNE DISEASE, ANTIARTHRITIC AGENTS, ANTIALLERGENS, ANTICANCER AGENTS WARNER-LAMBERT COMPANY LLC 2004-06-22 US disclosed
US-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors WARNER-LAMBERT COMPANY LLC 2003-10-09 US disclosed
WO-2003082839-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 WO disclosed
EP-1348701-A1 (2,4-disubstituted-thiazol-5-yl) amine compounds as PDE7 inhibitors Warner-Lambert Company LLC (US) 2003-10-01 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-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors PDE7A, PDE9A, PDE3A PDE7A 1/4885CCNT1 3242/4885CDK2 1686/4885
US-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PDE7A, PDE7B, PDE3A PDE7A 1/4885CCNT1 4172/4885CDK2 3811/4885

“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.