SCHEMBL1842253

SCHEMBL1842253

CCNC(=O)Nc1nc2c(F)c(-c3ccc(NCCN4CCOCC4)nc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.47
▸ HPGDS O60760 1/20 0.43
▸ MAPK1 P28482 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ FYN P06241 2/20 0.40
▸ ATR Q13535 1/20 0.40
▸ KDR P35968 2/20 0.40
▸ GRK5 P34947 1/20 0.39
▸ SYK P43405 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL1842021 0.86 HSP90AA1 (0.45) ABL1HPGDS
SCHEMBL1846451 0.86 PIK3CA (0.45) ABL1PIK3CAATR
Hydrochloric Acid SCHEMBL1840426 0.85 HSP90AA1 (0.45) ABL1HPGDS
Hydrochloric Acid SCHEMBL1843560 0.84 ABL1 (0.43) ABL1HPGDSKDRGRK5CYP3A4
Hydrochloric Acid SCHEMBL1842595 0.82 ABL1 (0.40) ABL1HPGDSL3MBTL1
Hydrochloric Acid SCHEMBL1843304 0.81 ACHE (0.40) ABL1KDM4ENPC1RAB9A
SCHEMBL1846424 0.80 ACVR1B (0.44) ABL1KDRNPC1RAB9A
SCHEMBL1842825 0.80 ABL1 (0.44) ABL1NPC1RAB9A
SCHEMBL1842666 0.80 ACHE (0.42) ABL1NPC1RAB9A
SCHEMBL1842109 0.80 MAPK1 (0.43) ABL1MAPK1PIK3CAMAPK8MAPK9

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 ABL1 1206/4885HPGDS 1062/4885MAPK1 3286/4885

“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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