SCHEMBL3440169

SCHEMBL3440169

COC(C)(C(=O)NN)c1nc(C)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.40
S100A4 P26447 1/20 0.38
CNR2 P34972 4/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NOS1 P29475 1/20 0.33
GRM5 P41594 1/20 0.33
PDE4A P27815 1/20 0.33
ADORA1 P30542 1/20 0.33
HTR2B P41595 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 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
SCHEMBL13151426 0.81 SSTR4 (0.41) SSTR4CNR2MAPTNPC1RAB9A
SCHEMBL3440172 0.81 SSTR4 (0.44) SSTR4S100A4CNR2MAPTNPC1
SCHEMBL634567 0.80 SSTR4 (0.43) SSTR4S100A4CNR2MAPTNPC1
SCHEMBL633518 0.77 SSTR4 (0.38) SSTR4CNR2MAPTNPC1RAB9A
SCHEMBL12818069 0.67 SMN1; SMN2 (0.50) SSTR4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16892961 0.67 SMN1; SMN2 (0.42) SSTR4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL132212 0.67 SSTR4 (0.44) SSTR4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29676258 0.67 SSTR4 (0.58) SSTR4CNR2MAPTNPC1RAB9A
SCHEMBL13151418 0.66 SSTR4 (0.43) SSTR4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20837204 0.66 KCNN4 (0.48) MAPTSMN1; SMN2KDM4EGAAMEN1

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
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
WO-2010118852-A1 ( PYRAZOL-3-YL) -1, 3, 4-THIADIAZOL-2-AMINE AND ( PYRAZOL-3-YL) -1, 3, 4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-10-21 WO 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-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 SSTR4 2701/4885S100A4 4030/4885CNR2 894/4885

“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.