SCHEMBL1704882

SCHEMBL1704882

Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1cnc2sc(N)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.68
LCK P06239 2/20 0.55
MAP2K1 Q02750 2/20 0.55
CSF1R P07333 1/20 0.55
KDR P35968 1/20 0.55
RAF1 P04049 7/20 0.53
BRAF P15056 7/20 0.53

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
SCHEMBL1705288 0.93 MAPK14 (0.57) MAPK14RAF1BRAF
SCHEMBL1705078 0.85 MAPK14 (0.49) MAPK14RAF1BRAF
SCHEMBL10158066 0.84 RAF1 (0.49) MAPK14RAF1BRAF
SCHEMBL5113465 0.81 MAPK14 (1.00) MAPK14LCKMAP2K1CSF1RKDR
SCHEMBL1705565 0.80 LCK (0.65) MAPK14LCKCSF1RKDRRAF1
SCHEMBL1704008 0.78 MAPK14 (0.44) MAPK14LCKKDRRAF1BRAF
SCHEMBL10159643 0.77 TRPV1 (0.48) MAPK14LCKKDR
SCHEMBL1704606 0.77 ABL1 (0.49) MAPK14CSF1RRAF1
SCHEMBL1705324 0.77 ABL1 (0.43) MAPK14
SCHEMBL2975048 0.76 MAPK14 (0.64) MAPK14LCKMAP2K1CSF1RKDR

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 1107/4885MAP2K1 4692/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT MAPK14 4735/4885LCK 290/4885MAP2K1 4777/4885

“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.