SCHEMBL10169484

SCHEMBL10169484

CNc1nc(N2CCCCC2)c(F)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
BTK Q06187 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
ACACB O00763 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
GFER P55789 1/20 0.37
YWHAG P61981 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SYK P43405 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
SCHEMBL10169541 0.99 BTK (0.40) JAK2BTKHTTNPC1TSHR
SCHEMBL10169494 0.88 BTK (0.42) BTKHTTKDM4ESYKALDH1A1
SCHEMBL893637 0.82 BTK (0.48) JAK2BTKNPC1MAPTSYK
SCHEMBL10169530 0.78 BTK (0.44) JAK2BTK
SCHEMBL20998656 0.75 BTK (0.50) JAK2BTKSYK
SCHEMBL10169216 0.74 BTK (0.47) BTKHTTNPC1KDM4EMEN1
SCHEMBL10169531 0.73 CHRNB4 (0.37) HTTNPC1KDM4EMAPTKMT2A
SCHEMBL10169212 0.72 BTK (0.46) BTKHTTNPC1KDM4EMEN1
SCHEMBL6794889 0.70 CHRM3 (0.46) SYKROCK2ROCK1
SCHEMBL4145117 0.69 OPRK1 (0.42) NPC1TSHRACACBKDM4EMAPT

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-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT JAK2 123/4885BTK 2/4885HTT 3854/4885

“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.