SCHEMBL9068893

SCHEMBL9068893

O=C(c1ccc(Nc2nc(S)nn3ccnc23)cc1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.59
TNKS O95271 1/20 0.50
HPGD P15428 2/20 0.49
JAK2 O60674 2/20 0.48
LRRK2 Q5S007 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PLK4 O00444 1/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
MAP4K4 O95819 1/20 0.46
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
TTK P33981 1/20 0.44
PTK2 Q05397 1/20 0.43
SYK P43405 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL9004682 0.86 BTK (0.58) BTKTNKSHPGDJAK2LRRK2
SCHEMBL14077948 0.85 BTK (0.56) BTKTNKSHPGDRXFP1SYK
SCHEMBL9004734 0.85 BTK (0.57) BTKTNKSHPGDJAK2LRRK2
SCHEMBL9069060 0.81 BTK (0.58) BTKTNKSHPGDJAK2LRRK2
SCHEMBL12611841 0.80 BTK (0.73) BTKHPGDJAK2RXFP1FLT3
SCHEMBL9069075 0.79 TNKS (0.49) BTKTNKSHPGDJAK2LRRK2
SCHEMBL9070222 0.79 TNKS (0.48) BTKTNKSHPGDJAK2LRRK2
SCHEMBL1067225 0.78 AURKA (0.49) BTKTNKSHPGDJAK2LRRK2
SCHEMBL13531872 0.78 AURKA (0.49) BTKTNKSHPGDJAK2LRRK2
SCHEMBL12611678 0.78 BTK (0.69) BTKJAK2FLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 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 (1 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-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 BTK 1/4885TNKS 524/4885HPGD 4308/4885

“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.