SCHEMBL1839976

SCHEMBL1839976

CCNC(=O)Nc1nc2c(F)c(-c3cccc(C(=O)N4CCN(C)CC4)c3)cc(-c3ccccn3)c2s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ATR Q13535 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ PIK3CA P42336 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ FYN P06241 1/20 0.38
▸ MAP3K7 O43318 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.37

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
SCHEMBL1845261 0.93 RIPK1 (0.42) ATRADORA2AABL1BCRTRPV4
SCHEMBL1843136 0.86 MAPK1 (0.46) ADORA2APIK3CAABL1
Lithium SCHEMBL1844267 0.86 MAPK1 (0.45) ADORA2APIK3CAABL1
SCHEMBL1844259 0.86 MAPK1 (0.45) ADORA2APIK3CAABL1
SCHEMBL1845355 0.85 TRPV4 (0.41) L3MBTL1KDM4EABL1TRPV4
SCHEMBL1842971 0.85 ABL1 (0.43) ABL1
Lithium Ion SCHEMBL1844263 0.85 NPC1 (0.41) PIK3CAABL1
SCHEMBL1846424 0.84 ACVR1B (0.44) ABL1FLT3TRPV4
SCHEMBL1840222 0.84 FLT3 (0.41) KDM4EABL1FLT3
SCHEMBL1843124 0.82 RIPK1 (0.43) L3MBTL1KDM4EADORA2A

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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — US claimed
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — US disclosed
EP-2321309-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-05-18 — — EP disclosed
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 — — 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 (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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI L3MBTL1 4357/4885KDM4E 315/4885ATR 1536/4885

“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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