SCHEMBL19709494

SCHEMBL19709494

N#CCc1nc2ncc(Br)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ HDAC8 Q9BY41 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
SCHEMBL19709498 0.81 MEN1 (0.33) MEN1KMT2AMAPTNPSR1
SCHEMBL691871 0.73 MAPT (0.49) MEN1KMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL12233968 0.73 LIPG (0.54) NPSR1HPGDHDAC8
SCHEMBL18285869 0.70 DYRK1A (0.42) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL16125870 0.70 HSD17B10 (0.39) HRH3MEN1KMT2AMAPTNPSR1
SCHEMBL4619770 0.69 SMN1; SMN2 (0.44) HRH3KMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL2315498 0.69 HRH3 (0.43) HRH3KMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL2318862 0.69 NSD1 (0.47) HRH3KMT2AMAPTSMN1; SMN2DYRK1A
SCHEMBL7961498 0.69 HRH3 (0.43) HRH3KMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL31296525 0.69 HRH3 (0.43) HRH3KMT2AMAPTNPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597370-B2 2-(benzothiazol-2-yl)-2-cyano-acetamide derivatives and their use as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-24 — — US disclosed
US-20190144403-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-16 — — US disclosed
WO-2017214005-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-14 — — 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-20190144403-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS LIPG, LPL, CEL HRH3 2683/4885MEN1 4792/4885KMT2A 1810/4885
US-10597370-B2 2-(benzothiazol-2-yl)-2-cyano-acetamide derivatives and their use as endothelial lipase inhibitors LIPG, LPL, CEL HRH3 2683/4885MEN1 4792/4885KMT2A 1810/4885

“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.

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