SCHEMBL4547994

SCHEMBL4547994

O=C(Nc1cccc(CN2CCOCC2)n1)c1cccc2nc(-c3ccc(F)cc3C(F)(F)F)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.41
JAK2 O60674 3/20 0.41
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
WDR5 P61964 5/20 0.39
AURKA O14965 1/20 0.39
ACKR3 P25106 1/20 0.38
JAK3 P52333 2/20 0.37
CHRNA7 P36544 1/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PIK3CD O00329 1/20 0.36
PARP1 P09874 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL4547997 0.94 JAK2 (0.41) KCNH2JAK2CDK5CDK5R1WDR5
SCHEMBL1937414 0.91 JAK2 (0.43) KCNH2JAK2CDK5CDK5R1AURKA
SCHEMBL4548006 0.88 KCNH2 (0.41) KCNH2JAK2CDK5CDK5R1WDR5
SCHEMBL4547993 0.87 WDR5 (0.40) KCNH2WDR5CHRNA7SMN1; SMN2
SCHEMBL4547984 0.84 KCNH2 (0.42) KCNH2JAK2CDK5CDK5R1ACKR3
SCHEMBL4548010 0.81 JAK2 (0.41) KCNH2JAK2CDK5CDK5R1WDR5
SCHEMBL4547965 0.81 CDK5 (0.44) KCNH2JAK2CDK5CDK5R1JAK3
SCHEMBL4547996 0.81 WDR5 (0.40) WDR5SMN1; SMN2
SCHEMBL12753588 0.80 JAK2 (0.40) KCNH2JAK2CDK5CDK5R1WDR5
SCHEMBL4547992 0.79 MEN1 (0.43) NPC1TP53RAB9ASMN1; SMN2ALDH1A1

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-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KCNH2 3822/4885JAK2 409/4885CDK5 649/4885

“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.