SCHEMBL1704008

SCHEMBL1704008

Cc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1-c1cnc2sc(N)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.44
LCK P06239 3/20 0.44
KDR P35968 3/20 0.44
JAK3 P52333 3/20 0.44
TEK Q02763 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAF1 P04049 2/20 0.40
DDR2 Q16832 2/20 0.40
BRAF P15056 2/20 0.40
BRD4 O60885 1/20 0.40

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 0.82 LCK (0.65) MAPK14LCKKDRJAK3TEK
SCHEMBL1704606 0.80 ABL1 (0.49) MAPK14MEN1KMT2ACYP1A2CYP3A4
SCHEMBL10159643 0.79 TRPV1 (0.48) MAPK14LCKKDRJAK3TEK
SCHEMBL1704882 0.78 MAPK14 (0.68) MAPK14LCKKDRRAF1BRAF
SCHEMBL1696213 0.74 LDHA (0.41) MAPK14LCKMAPTPOLBTDP1
SCHEMBL1705288 0.74 MAPK14 (0.57) MAPK14MEN1KMT2AMAPTRAF1
SCHEMBL1705324 0.74 ABL1 (0.43) MAPK14KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1703715 0.73 DDR2 (0.54) MAPK14LCKKDRMEN1KMT2A
SCHEMBL1703596 0.70 MAPK1 (0.59) MAPK14MAPTPOLBBRAFABL1
SCHEMBL1705078 0.68 MAPK14 (0.49) MAPK14MEN1KMT2AMAPTRAF1

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 MAPK14 4759/4885LCK 1107/4885KDR 1877/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT MAPK14 4735/4885LCK 290/4885KDR 2363/4885

“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.