SCHEMBL10211657

SCHEMBL10211657

CN1CCC[C@@H](NC(=O)c2cccc(-c3ncn[nH]3)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
USP30 Q70CQ3 2/20 0.49
CHEK1 O14757 1/20 0.47
HDAC4 P56524 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ROCK2 O75116 1/20 0.44
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
PARP1 P09874 1/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
MALT1 Q9UDY8 1/20 0.43
BTK Q06187 1/20 0.43
PBK Q96KB5 1/20 0.43
KIF11 P52732 1/20 0.42
MAP4K4 O95819 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10169119 0.87 USP30 (0.47) USP30DRD2DRD4KIF11
SCHEMBL10210729 0.82 USP30 (0.70) PIK3CDUSP30CHEK1HDAC4HDAC6
SCHEMBL10212642 0.80 KDM4E (0.55) PIK3CDUSP30CHEK1HDAC4HDAC6
SCHEMBL10210831 0.79 USP30 (0.60) PIK3CDUSP30CHEK1HDAC4HDAC6
SCHEMBL10211601 0.78 USP30 (0.54) PIK3CDUSP30CHEK1HDAC4HDAC6
SCHEMBL10212606 0.78 USP30 (0.59) USP30CHEK1HDAC4HDAC6DRD2
SCHEMBL10212633 0.78 USP30 (0.56) PIK3CDUSP30CHEK1HDAC4HDAC6
SCHEMBL10210844 0.77 SMYD2 (0.57) PIK3CDUSP30CHEK1HDAC4HDAC6
SCHEMBL10211606 0.77 SMYD3 (0.59) USP30CHEK1HDAC4HDAC6CHRNB2
SCHEMBL10212160 0.77 NPC1 (0.69) USP30CHEK1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CD 68/4885USP30 4807/4885CHEK1 490/4885

“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.