SCHEMBL12091997

SCHEMBL12091997

Nc1ccc(-c2cnc(N)s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.62
ALDH1A1 P00352 5/20 0.57
NPC1 O15118 3/20 0.57
MAPT P10636 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
APP P05067 4/20 0.54
ADORA3 P0DMS8 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TP53 P04637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BACE1 P56817 1/20 0.43
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
QPCT Q16769 1/20 0.42
QPCTL Q9NXS2 1/20 0.42

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
SCHEMBL4831643 0.83 CSNK2A1 (0.59) CSNK2A1ALDH1A1NPC1MAPTRAB9A
SCHEMBL17632161 0.83 CSNK2A1 (0.59) CSNK2A1ALDH1A1NPC1MAPTRAB9A
SCHEMBL3500308 0.83 CSNK2A1 (0.59) CSNK2A1ALDH1A1NPC1MAPTRAB9A
SCHEMBL29621002 0.83 CSNK2A1 (0.59) CSNK2A1ALDH1A1NPC1MAPTRAB9A
SCHEMBL69900 0.83 CSNK2A1 (0.62) CSNK2A1ALDH1A1NPC1MAPTRAB9A
Bromide SCHEMBL12496053 0.82 CSNK2A1 (0.57) CSNK2A1ALDH1A1NPC1MAPTRAB9A
Bromide SCHEMBL22834317 0.81 CSNK2A1 (0.61) CSNK2A1ALDH1A1NPC1MAPTRAB9A
SCHEMBL5960025 0.81 CSNK2A1 (0.56) CSNK2A1ALDH1A1NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL11145599 0.81 CSNK2A1 (0.61) CSNK2A1ALDH1A1NPC1MAPTRAB9A
SCHEMBL12601168 0.80 MAP4K4 (0.53) CSNK2A1ALDH1A1NPC1MAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255072-B2 Pyrazole compounds and thiazole compounds as protein kinases inhibitors National Health Rsearch Institutes (TW) 2016-02-09 US disclosed
CN-102993117-A Preparation method of 2-amino-5-(4-amino phenyl)-thiazole ZHANGJIAGANG CITY DAWEI ASSISTANTS INSDUSTRY CO LTD 2013-03-27 CN disclosed
CN-102993117-A Preparation method of 2-amino-5-(4-amino phenyl)-thiazole ZHANGJIAGANG CITY DAWEI ASSISTANTS INSDUSTRY CO LTD 2013-03-27 CN disclosed
US-20120225880-A1 PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-09-06 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 (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-20120225880-A1 PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS FLT4, AURKB, AURKA CSNK2A1 945/4885ALDH1A1 3340/4885NPC1 4305/4885

“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.