SCHEMBL1705078

SCHEMBL1705078

COc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(C)c(-c2cnc3sc(N)nc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.49
IRAK4 Q9NWZ3 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
RAF1 P04049 3/20 0.44
BRAF P15056 3/20 0.44
IRAK1 P51617 1/20 0.43
PTK2 Q05397 1/20 0.42
LRRK2 Q5S007 1/20 0.42
FLT3 P36888 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
SCHEMBL10158066 0.93 RAF1 (0.49) MAPK14MEN1KMT2AALDH1A1RAF1
SCHEMBL1705288 0.88 MAPK14 (0.57) MAPK14MEN1KMT2AALDH1A1MAPT
SCHEMBL1704882 0.85 MAPK14 (0.68) MAPK14RAF1BRAF
SCHEMBL1704606 0.76 ABL1 (0.49) MAPK14MEN1KMT2AALDH1A1MAPT
SCHEMBL1705324 0.73 ABL1 (0.43) MAPK14KMT2AALDH1A1MAPT
SCHEMBL10159643 0.72 TRPV1 (0.48) MAPK14MEN1KMT2AMAPT
SCHEMBL2342219 0.71 MAPT (0.80) MAPK14MEN1KMT2AALDH1A1MAPT
SCHEMBL1696213 0.71 LDHA (0.41) MAPK14ALDH1A1MAPT
SCHEMBL1703715 0.71 DDR2 (0.54) MAPK14MEN1KMT2AALDH1A1MAPT
SCHEMBL2348198 0.70 MAPT (0.74) MAPK14MEN1KMT2AALDH1A1MAPT

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 4759/4885IRAK4 1750/4885MEN1 1938/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT MAPK14 4735/4885IRAK4 746/4885MEN1 4018/4885

“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.