SCHEMBL1696302

SCHEMBL1696302

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(-c2ccc3nc(Nc4ccc(S(=O)(=O)N5CCNCC5)cc4)sc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.55
MAPT P10636 9/20 0.49
TRPV4 Q9HBA0 1/20 0.48
BRAF P15056 2/20 0.47
STK10 O94804 1/20 0.47
ABL1 P00519 1/20 0.47
RET P07949 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
CDK11B P21127 1/20 0.47
CDK2 P24941 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
CDK7 P50613 1/20 0.47
MAPK12 P53778 1/20 0.47
CDK3 Q00526 1/20 0.47
CDK5 Q00535 1/20 0.47
TEK Q02763 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
SCHEMBL1696421 0.89 IRAK4 (0.51) IRAK4MAPTBRAFSTK10ABL1
SCHEMBL1696212 0.81 IRAK4 (0.64) IRAK4MAPTTRPV4BRAFSTK10
SCHEMBL1279228 0.81 MEN1 (0.56) IRAK4MAPTBRAFSTK10ABL1
SCHEMBL1279995 0.81 IRAK4 (0.68) IRAK4MAPTBRAFSTK10ABL1
SCHEMBL1280048 0.78 IRAK4 (0.57) IRAK4MAPTBRAFSTK10ABL1
SCHEMBL1696371 0.78 STK10 (0.54) IRAK4MAPTBRAFSTK10ABL1
SCHEMBL1278965 0.77 BRAF (0.65) IRAK4MAPTBRAFSTK10ABL1
SCHEMBL5437768 0.75 LMNA (0.49) MAPTTRPV4KDM4EMAPK1POLB
SCHEMBL5437771 0.75 LMNA (0.49) MAPTTRPV4KDM4EMAPK1POLB
SCHEMBL1279505 0.75 LCK (0.60) MAPTKDRTEKKDM4ENPSR1

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 8 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

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 IRAK4 1750/4885MAPT 1093/4885TRPV4 3357/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT IRAK4 746/4885MAPT 80/4885TRPV4 2643/4885

“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.