SCHEMBL3490328

SCHEMBL3490328

Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
NAMPT P43490 3/20 0.42
LCK P06239 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
CHEK2 O96017 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TBK1 Q9UHD2 4/20 0.39
ACACB O00763 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL3489950 0.90 BACE1 (0.44) BACE1NAMPTHRH4CHEK2TBK1
SCHEMBL3491957 0.90 SSTR4 (0.45) BACE1NAMPTHRH4CHEK2TBK1
SCHEMBL3490376 0.87 BCHE (0.45) BACE1NAMPT
SCHEMBL3489548 0.85 NAMPT (0.38) NAMPTHRH4TBK1ACACB
SCHEMBL3491078 0.83 STS (0.42) BACE1NAMPTCHEK2PDE3BPDE3A
SCHEMBL3489471 0.83 NAMPT (0.49) NAMPTACACB
SCHEMBL3489360 0.81 JAK2 (0.42) ACACB
SCHEMBL3492797 0.80 ALDH1A1 (0.41) BACE1NAMPTSMN1; SMN2PDE3BPDE3A
SCHEMBL3489659 0.80 JAK2 (0.38) NAMPTACACB
SCHEMBL3488861 0.79 PARP1 (0.46) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A BACE1 3459/4885NAMPT 3492/4885LCK 1305/4885

“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.