SCHEMBL2178167

SCHEMBL2178167

CCNC(=O)Nc1nc2c(F)c(-c3ccc(OCCCN(C)C)nc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACVR1B P36896 1/20 0.46
▸ TGFBR1 P36897 1/20 0.46
▸ ATM Q13315 5/20 0.44
▸ ABL1 P00519 6/20 0.41
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CHEK2 O96017 1/20 0.38
▸ GCK P35557 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
SCHEMBL1844572 0.88 ABL1 (0.45) ABL1KDR
SCHEMBL1842825 0.84 ABL1 (0.44) ABL1
SCHEMBL1841832 0.83 ACVR1B (0.45) ACVR1BTGFBR1ATMCHEK2
SCHEMBL1842433 0.83 ABL1 (0.42) ABL1
SCHEMBL1842847 0.82 ABL1 (0.43) ABL1
Lithium SCHEMBL1842854 0.82 ABL1 (0.43) ABL1
SCHEMBL1841588 0.81 — —
SCHEMBL1841659 0.81 NPC1 (0.43) ABL1
Lithium Ion SCHEMBL1842848 0.81 ABL1 (0.40) ABL1
SCHEMBL1840902 0.81 NPC1 (0.41) ABL1

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 2 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

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 ACVR1B 4206/4885TGFBR1 3737/4885ATM 895/4885

“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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