SCHEMBL4547997

SCHEMBL4547997

O=C(Nc1cccc(CN2CCOCC2)n1)c1cccc2nc(-c3cc(F)ccc3C(F)(F)F)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.41
KCNH2 Q12809 3/20 0.41
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
WDR5 P61964 3/20 0.39
AURKA O14965 1/20 0.39
ACKR3 P25106 1/20 0.38
JAK3 P52333 2/20 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
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
LCK P06239 1/20 0.36
CXCR4 P61073 1/20 0.36
THRB P10828 1/20 0.36
BCL3 P20749 1/20 0.36
HIF1A Q16665 1/20 0.35

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
SCHEMBL4547994 0.94 KCNH2 (0.41) JAK2KCNH2CDK5CDK5R1WDR5
SCHEMBL1937414 0.91 JAK2 (0.43) JAK2KCNH2CDK5CDK5R1AURKA
SCHEMBL4548010 0.88 JAK2 (0.41) JAK2KCNH2CDK5CDK5R1WDR5
SCHEMBL4547996 0.87 WDR5 (0.40) WDR5SMN1; SMN2
SCHEMBL4547984 0.84 KCNH2 (0.42) JAK2KCNH2CDK5CDK5R1ACKR3
SCHEMBL4548006 0.81 KCNH2 (0.41) JAK2KCNH2CDK5CDK5R1WDR5
SCHEMBL4547965 0.81 CDK5 (0.44) JAK2KCNH2CDK5CDK5R1JAK3
SCHEMBL4547993 0.81 WDR5 (0.40) KCNH2WDR5SMN1; SMN2
SCHEMBL12662462 0.81 PARP1 (0.45) JAK2KCNH2CDK5CDK5R1WDR5
SCHEMBL4547995 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 JAK2 409/4885KCNH2 3822/4885CDK5 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.