SCHEMBL4247482

SCHEMBL4247482

CC(=O)Nc1ccc(-c2nc(C)c(NC3CCCC(O)C3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SULT1A1 P50225 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42
PI4KB Q9UBF8 2/20 0.40
SYK P43405 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
FFAR1 O14842 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MGLL Q99685 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4250476 0.89 PDE7A (0.50) SULT1A1PDE4DPDE7APDE7BPI4KB
SCHEMBL7147373 0.82 MAPK8 (0.39) PDE4DPDE7API4KBALDH1A1MAPT
SCHEMBL4246679 0.72 PDE7A (0.44) PDE4DPDE7API4KBIRAK4
SCHEMBL5526434 0.69 PDE7A (0.79) PDE4DPDE7APDE7B
SCHEMBL4250457 0.69 PDE7A (0.79) PDE4DPDE7APDE7B
SCHEMBL4250459 0.69 PDE7A (0.79) PDE4DPDE7APDE7B
SCHEMBL4252297 0.69 PDE7A (0.79) PDE4DPDE7APDE7B
SCHEMBL6454854 0.69 NPC1 (0.48) PDE4DPDE7API4KBALDH1A1MAPT
SCHEMBL13801098 0.68 SMN1; SMN2 (0.60) SULT1A1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL19002227 0.68 PLA2G1B (0.50) PDE4DPDE7APDE7BPI4KBSYK

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 8 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-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
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

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 SULT1A1 833/4885PDE4D 18/4885PDE7A 1/4885
US-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PDE7A, PDE7B, PDE3A SULT1A1 3212/4885PDE4D 12/4885PDE7A 1/4885

“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.