SCHEMBL6453740

SCHEMBL6453740

CSc1ncnc2cc(-c3nc(C)c(NC4CCCCC4)s3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.38
CD38 P28907 3/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA2A P29274 6/20 0.34
ADORA1 P30542 6/20 0.34
ADORA3 P0DMS8 5/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRM4 P08173 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RIPK2 O43353 1/20 0.34

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 0.85 PDE7A (0.52) PDE7ACD38NPC1RAB9AADORA2A
SCHEMBL6450379 0.78 IP6K1 (0.39) PDE7ANPC1RAB9AADORA2AADORA1
SCHEMBL4246679 0.75 PDE7A (0.44) PDE7ACD38
SCHEMBL6454854 0.71 NPC1 (0.48) PDE7ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL6464643 0.67 RAB9A (0.52) NPC1RAB9ALMNASMN1; SMN2TDP1
SCHEMBL4250476 0.66 PDE7A (0.50) PDE7ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL21370171 0.60 IRAK4 (0.71) CD38LMNACYP1A2CYP3A4CYP2C19
SCHEMBL10548235 0.59 NR4A2 (0.43) NPC1LMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL3528078 0.59 EGFR (0.47) RAB9AADORA3LMNA
SCHEMBL7147373 0.58 MAPK8 (0.39) PDE7ANPC1RAB9ALMNASMN1; SMN2

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
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 (1 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 1/4885CD38 1754/4885NPC1 3381/4885

“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.