SCHEMBL4252175

SCHEMBL4252175

Cc1nc(-c2ccc3c(N)ncnc3c2)sc1NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.52
MAP4K4 O95819 3/20 0.42
PDE4D Q08499 1/20 0.41
CD38 P28907 3/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
FAAH O00519 1/20 0.35
NUDT1 P36639 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CHRM4 P08173 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 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
SCHEMBL4246679 0.89 PDE7A (0.44) PDE7AMAP4K4PDE4DCD38
SCHEMBL6453740 0.85 PDE7A (0.38) PDE7ACD38NPC1RAB9AADORA3
SCHEMBL6450379 0.79 IP6K1 (0.39) PDE7ANPC1RAB9AADORA3ADORA2A
SCHEMBL6454854 0.78 NPC1 (0.48) PDE7APDE4DNPC1RAB9ANUDT1
SCHEMBL6464643 0.71 RAB9A (0.52) NPC1RAB9ALMNASMN1; SMN2TDP1
SCHEMBL4250347 0.69 PDE7A (1.00) PDE7APDE4D
SCHEMBL4250343 0.69 PDE7A (1.00) PDE7APDE4D
SCHEMBL4250476 0.68 PDE7A (0.50) PDE7APDE4DNPC1RAB9ALMNA
SCHEMBL4250308 0.65 PDE7A (0.69) PDE7AMAP4K4PDE4D
SCHEMBL4250314 0.65 PDE7A (0.69) PDE7AMAP4K4PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492778-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS Warner-Lambert Company LLC (US) 2005-01-05 EP claimed
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
WO-2003082839-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 WO 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-1855686-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Pfizer Limited (GB) 2007-11-21 EP disclosed
WO-2006092691-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 WO 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
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 1/4885MAP4K4 1730/4885PDE4D 18/4885
US-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PDE7A, PDE7B, PDE3A PDE7A 1/4885MAP4K4 1680/4885PDE4D 12/4885

“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.