SCHEMBL1696310

SCHEMBL1696310

Nc1nc2cc(-c3cccc(C(=O)O)c3)cnc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.50
ALOX5AP P20292 1/20 0.47
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
KMO O15229 2/20 0.46
LDHA P00338 2/20 0.46
LDHB P07195 2/20 0.46
AXL P30530 2/20 0.45
CSNK2A1 P68400 1/20 0.45
LIMK1 P53667 1/20 0.44
CSNK1G2 P78368 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
ATR Q13535 1/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
CCNT1 O60563 1/20 0.41
CCND1 P24385 1/20 0.41
CCNC P24863 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
SCHEMBL13580019 0.84 MKNK1 (0.47) MAP4K4CSNK2A1MKNK2
SCHEMBL1696356 0.83 ALDH1A1 (0.46) CCNT1CDK8CDK9
SCHEMBL1696213 0.79 LDHA (0.41) MAP4K4ALOX5APLDHALDHBCSNK2A1
SCHEMBL1279409 0.79 KDM4E (0.45) MAP4K4KMOLDHALDHBCSNK2A1
SCHEMBL1696415 0.79 MEN1 (0.47) MAP4K4CCNT1CDK9
SCHEMBL14107918 0.74 KMO (0.59) MAP4K4ALOX5APIKBKETBK1KMO
SCHEMBL14758859 0.73 KMO (0.58) MAP4K4IKBKETBK1KMOLDHA
SCHEMBL2747422 0.72 MAP4K4 (0.58) MAP4K4IKBKETBK1LDHALDHB
SCHEMBL22777775 0.71 MAP4K4 (0.43) MAP4K4AXL
SCHEMBL71238 0.70 KMO (0.86) KMORXRARXRB

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 9 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-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-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-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
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 MAP4K4 4353/4885ALOX5AP 2377/4885IKBKE 568/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT MAP4K4 4300/4885ALOX5AP 3280/4885IKBKE 831/4885

“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.