SCHEMBL633307

SCHEMBL633307

Cc1cc(N=C=S)nn1Cc1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
PKM P14618 3/20 0.40
PKLR P30613 2/20 0.40
CYP2A13 Q16696 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL15233079 0.86 KMT2A (0.50) KMT2AMEN1MAPTTP53SLC22A12
SCHEMBL633646 0.77 KMT2A (0.53) KMT2AMEN1MAPTTP53SLC22A12
SCHEMBL15164115 0.77 CYP1A2 (0.34)
SCHEMBL2115291 0.77 EGFR (0.43) KMT2AMEN1PKMCYP2A13GAA
SCHEMBL17208862 0.71 TNKS (0.31)
SCHEMBL2115447 0.70 KMT2A (0.54) KMT2AMEN1MAPTTP53SLC22A12
SCHEMBL633360 0.66 ALDH1A1 (0.37) KMT2AMEN1
SCHEMBL6354523 0.65 P2RX7 (0.82) KMT2AMAPT
SCHEMBL15177631 0.64 EGFR (0.46) KMT2AMEN1PKMCYP2A13GAA
SCHEMBL16752419 0.64 SLC22A12 (0.67) KMT2ASLC22A12

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
EP-2419426-B1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LTD (GB) 2013-08-14 EP 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
EP-2419426-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) 2012-02-22 EP 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 KMT2A 2219/4885MEN1 564/4885MAPT 4387/4885

“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.