SCHEMBL1842109

SCHEMBL1842109

CCNC(=O)Nc1nc2c(F)c(-c3cnn(C)c3)cc(-c3ccccn3)c2s1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ABL1 P00519 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ NTRK1 P04629 1/20 0.38

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
SCHEMBL1844060 0.90 ABL1 (0.40) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL4541483 0.89 ABL1 (0.39) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1842805 0.88 ABL1 (0.38) NPC1RAB9ASMN1; SMN2ABL1
Lithium SCHEMBL1842811 0.88 ABL1 (0.38) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1843744 0.87 MAPK1 (0.41) MAPK1PIK3CAMAPK8MAPK9MAPK10
Lithium Ion SCHEMBL1842806 0.87 ABL1 (0.38) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1840804 0.87 ABL1 (0.39) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1846100 0.87 ABL1 (0.38) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1841588 0.86 — —
SCHEMBL1841659 0.86 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ABL1

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 MAPK1 3286/4885PIK3CA 212/4885MAPK8 3121/4885

“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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