SCHEMBL12373218

SCHEMBL12373218

CCOOSc1nc(C(C#N)C(=O)c2ccccc2F)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PKM P14618 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL2278283 0.85 USP8 (0.35) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL2273613 0.77 ALDH1A1 (0.35) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL13962776 0.76 CES2 (0.37) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL2270437 0.65 RAB9A (0.38) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL14619317 0.65 KAT6A (0.32) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL19925907 0.63 CES2 (0.47) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL29875006 0.63 CES2 (0.47) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL4753735 0.63 NPC1 (0.32) SMN1; SMN2MEN1KMT2AALDH1A1CES2
SCHEMBL31468409 0.60 CES2 (0.50) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL8691227 0.60 CES2 (0.50) SMN1; SMN2MEN1GAAKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS GRK2, MAPK9, MAPK1 SMN1; SMN2 3443/4885MEN1 3704/4885GAA 1925/4885
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors GRK2, MAPK1, GRK4 SMN1; SMN2 3578/4885MEN1 3532/4885GAA 1784/4885

“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.