SCHEMBL1840222

SCHEMBL1840222

CCNC(=O)Nc1nc2c(F)c(-c3ccc(CN4CCN(C)CC4)cc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.41
▸ KIT P10721 1/20 0.41
▸ IKBKE Q14164 2/20 0.40
▸ TBK1 Q9UHD2 2/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LCK P06239 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ HCAR1 Q9BXC0 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
Hydrochloric Acid SCHEMBL1837515 0.94 KDM4E (0.39) FLT3KITGHSRABL1ENPP2
SCHEMBL1842021 0.92 HSP90AA1 (0.45) ABL1HSP90AA1HSP90AB1DYRK1A
Hydrochloric Acid SCHEMBL1840426 0.91 HSP90AA1 (0.45) ABL1HSP90AA1HSP90AB1DYRK1A
Hydrochloric Acid SCHEMBL1839355 0.90 AKT1 (0.42) ABL1ENPP2AKT1AKT2HSP90AA1
Hydrochloric Acid SCHEMBL1842106 0.90 AKT1 (0.41) ABL1AKT1AKT2HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL1845022 0.88 TNIK (0.38) IKBKETBK1GHSRABL1KDM4E
SCHEMBL1845261 0.88 RIPK1 (0.42) ABL1ENPP2DYRK1A
SCHEMBL1846424 0.86 ACVR1B (0.44) FLT3KITABL1DYRK1AKDR
SCHEMBL4540031 0.85 ABL1 (0.43) ABL1KDM4E
SCHEMBL1845355 0.85 TRPV4 (0.41) ABL1KDM4EDYRK1A

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 FLT3 2740/4885KIT 2116/4885IKBKE 1939/4885

“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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