SCHEMBL10159643

SCHEMBL10159643

Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1-c1cnc2sc(N)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.48
ABL1 P00519 2/20 0.46
LCK P06239 2/20 0.45
KDR P35968 2/20 0.45
JAK3 P52333 2/20 0.45
TEK Q02763 2/20 0.45
MAPK14 Q16539 2/20 0.45
HDAC3 O15379 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
KIT P10721 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1705565 0.85 LCK (0.65) ABL1LCKKDRJAK3TEK
SCHEMBL1704606 0.84 ABL1 (0.49) ABL1MAPK14MEN1KMT2ANPC1
SCHEMBL13220015 0.83 ABL1 (0.55) TRPV1ABL1LCKKDRJAK3
SCHEMBL1705288 0.82 MAPK14 (0.57) MAPK14HDAC6HDAC8MEN1KMT2A
SCHEMBL1705324 0.82 ABL1 (0.43) ABL1MAPK14KITKMT2ANPC1
SCHEMBL1696213 0.81 LDHA (0.41) LCKMAPK14NPC1MAPTRAB9A
SCHEMBL1703715 0.80 DDR2 (0.54) ABL1LCKKDRMAPK14KIT
SCHEMBL1704008 0.79 MAPK14 (0.44) ABL1LCKKDRJAK3TEK
SCHEMBL5497629 0.78 LCK (0.71) TRPV1LCKKDRJAK3TEK
SCHEMBL1704882 0.77 MAPK14 (0.68) LCKKDRMAPK14

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-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 US disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 US disclosed
WO-2010144909-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-16 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 (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-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES OAT, OTC, DLD TRPV1 1969/4885ABL1 1023/4885LCK 1107/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT TRPV1 1585/4885ABL1 318/4885LCK 290/4885

“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.