SCHEMBL2143391

SCHEMBL2143391

CCn1cnc2ccc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
HDAC4 P56524 2/20 0.51
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
USP30 Q70CQ3 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RIPK2 O43353 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACSS2 Q9NR19 1/20 0.44
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL2143374 0.83 ALDH1A1 (0.57) NPC1USP2ALDH1A1RAB9AHDAC4
SCHEMBL3725969 0.81 HDAC1 (0.55) HDAC4USP30HDAC6LMNATHRB
SCHEMBL2128743 0.80 NPC1 (0.64) NPC1ALDH1A1HDAC4MAPTNPSR1
SCHEMBL2143628 0.80 ACSS2 (0.50) NPC1USP2ALDH1A1RAB9AHDAC4
Bromide SCHEMBL29625077 0.80 HDAC4 (0.48) NPC1USP2ALDH1A1RAB9AHDAC4
SCHEMBL4165878 0.77 KDM4E (0.47) GPR119
SCHEMBL12426675 0.76 HDAC4 (0.52) ALDH1A1HDAC4MAPTNPSR1USP30
SCHEMBL25401822 0.76 HDAC4 (0.60) NPC1ALDH1A1RAB9AHDAC4MAPT
SCHEMBL12426369 0.76 NPSR1 (0.50) NPC1USP2ALDH1A1RAB9AHDAC4
SCHEMBL4943222 0.76 USP30 (0.56) HDAC4USP30HDAC6

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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 NPC1 4446/4885USP2 2966/4885ALDH1A1 3598/4885

“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.