SCHEMBL634359

SCHEMBL634359

Nc1ccn(Cc2c(F)cccc2Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.52
EGFR P00533 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2A13 Q16696 1/20 0.46
PKM P14618 1/20 0.45
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL634508 0.89 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1L3MBTL1EGFR
SCHEMBL634901 0.82 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1L3MBTL1EGFR
SCHEMBL19086823 0.79 TAAR1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1EGFR
SCHEMBL15177631 0.78 EGFR (0.46) ALDH1A1KMT2AMEN1L3MBTL1EGFR
SCHEMBL3440085 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL3440027 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1EGFR
SCHEMBL3440029 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1EGFR
SCHEMBL2115291 0.75 EGFR (0.43) ALDH1A1KMT2AMEN1L3MBTL1EGFR
SCHEMBL3440025 0.75 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1L3MBTL1NPC1
SCHEMBL3440030 0.74 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1L3MBTL1NPC1

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 11 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-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
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
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
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
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 ALDH1A1 2718/4885KMT2A 2219/4885MEN1 564/4885

“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.