SCHEMBL15425307

SCHEMBL15425307

COC(=O)N(Cc1ccc(OC)cc1)c1cc(Br)c(Cl)c(N(Cc2ccc(OC)cc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.42
BCL2A1 Q16548 4/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RNF4 P78317 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACLY P53396 1/20 0.34

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
SCHEMBL19290258 0.88 TSPO (0.42) TSPOBCL2A1DRD2DRD3PTGDR2
SCHEMBL16534975 0.84 TSPO (0.40) TSPOBCL2A1PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL16535290 0.83 BCL2A1 (0.38) TSPOBCL2A1ALDH1A1SMN1; SMN2TSHR
SCHEMBL16534687 0.83 BCL2A1 (0.38) TSPOBCL2A1ALDH1A1SMN1; SMN2TSHR
SCHEMBL16535199 0.83 BCL2A1 (0.38) TSPOBCL2A1ALDH1A1SMN1; SMN2TSHR
SCHEMBL15409697 0.83 TSPO (0.51) TSPOBCL2A1PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL16534974 0.79 ALDH1A1 (0.40) TSPOBCL2A1ALDH1A1SMN1; SMN2TSHR
SCHEMBL14809012 0.77 BCL2A1 (0.48) TSPOBCL2A1ALDH1A1TSHRMAPK1
SCHEMBL14809010 0.77 BCL2A1 (0.48) TSPOBCL2A1ALDH1A1TSHRMAPK1
SCHEMBL16534941 0.77 TSPO (0.52) TSPOBCL2A1DRD2DRD3PTGDR2

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-9556178-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-21 US disclosed
US-9273057-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-05 US disclosed
US-8940736-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
WO-2014011974-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-16 WO disclosed
US-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-01-16 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 (4 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-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 TSPO 3060/4885BCL2A1 1512/4885DRD2 4862/4885
US-20150065465-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 TSPO 3060/4885BCL2A1 1512/4885DRD2 4862/4885
US-20150210697-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 TSPO 3060/4885BCL2A1 1512/4885DRD2 4862/4885
US-20160108050-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 TSPO 3060/4885BCL2A1 1512/4885DRD2 4862/4885

“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.