SCHEMBL1705288

SCHEMBL1705288

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1cnc2sc(N)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.57
RAF1 P04049 6/20 0.49
BRAF P15056 6/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1704882 0.93 MAPK14 (0.68) MAPK14RAF1BRAF
SCHEMBL1705078 0.88 MAPK14 (0.49) MAPK14RAF1BRAFPKMMAPT
SCHEMBL10158066 0.87 RAF1 (0.49) MAPK14RAF1BRAFMEN1ALDH1A1
SCHEMBL1705324 0.83 ABL1 (0.43) MAPK14NPC1TP53RAB9AMAPT
SCHEMBL10159643 0.82 TRPV1 (0.48) MAPK14NPC1RAB9AMAPTMEN1
SCHEMBL1703715 0.81 DDR2 (0.54) MAPK14BRAFNPC1RAB9AMAPT
SCHEMBL2914953 0.80 MAPK14 (0.62) MAPK14RAF1BRAFNPC1TP53
SCHEMBL1704606 0.80 ABL1 (0.49) MAPK14RAF1NPC1TP53RAB9A
SCHEMBL1140725 0.79 MAPK14 (0.59) MAPK14RAF1BRAFNPC1TP53
SCHEMBL2352480 0.79 PKM (0.70) MAPK14RAF1BRAFNPC1TP53

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 4759/4885RAF1 3147/4885BRAF 2235/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT MAPK14 4735/4885RAF1 4126/4885BRAF 3361/4885

“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.