SCHEMBL1845261

SCHEMBL1845261

CCNC(=O)Nc1nc2c(F)c(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ ABL1 P00519 4/20 0.41
▸ BCR P11274 3/20 0.41
▸ CLK1 P49759 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ SLC6A7 Q99884 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ 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
SCHEMBL1839976 0.93 L3MBTL1 (0.44) ABL1BCRADORA2ASLC6A7ATR
SCHEMBL1843124 0.89 RIPK1 (0.43) RIPK1CLK1DYRK1ADYRK1BADORA2A
SCHEMBL1840222 0.88 FLT3 (0.41) ABL1DYRK1AENPP2
SCHEMBL1843890 0.86 ABL1 (0.45) ABL1ADORA2AADORA1
SCHEMBL1846424 0.86 ACVR1B (0.44) ABL1DYRK1ATRPV4
SCHEMBL1842937 0.85 ABL1 (0.44) ABL1ADORA2AADORA1
Lithium SCHEMBL1842944 0.85 ABL1 (0.44) ABL1ADORA2AADORA1
SCHEMBL2180642 0.85 MAP3K12 (0.39) POLBNTRK1
Lithium SCHEMBL2180652 0.85 MAP3K12 (0.39) POLBNTRK1
SCHEMBL1841496 0.85 ABL1 (0.43) 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 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 RIPK1 3882/4885CYP2C9 802/4885ABL1 1206/4885

“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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