SCHEMBL2402934

SCHEMBL2402934

NC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
NOS2 P35228 1/20 0.51
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
CYP1A2 P05177 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
BTK Q06187 2/20 0.46
TSHR P16473 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.43
HCAR3 P49019 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2402936 1.00 MEN1 (0.58) MEN1HTTKMT2ANOS2PDGFRB
SCHEMBL16848420 0.94 MEN1 (0.53) MEN1HTTKMT2ANOS2PDGFRB
SCHEMBL2402144 0.86 NOS2 (0.52) MEN1KMT2ANOS2CYP1A2NPC1
SCHEMBL2402147 0.86 NOS2 (0.52) MEN1KMT2ANOS2CYP1A2NPC1
SCHEMBL21061873 0.85 NOS2 (0.49) MEN1HTTKMT2ANOS2CYP1A2
SCHEMBL21061432 0.85 NOS2 (0.49) MEN1HTTKMT2ANOS2CYP1A2
SCHEMBL29500832 0.85 NOS2 (0.49) MEN1HTTKMT2ANOS2CYP1A2
SCHEMBL526424 0.85 NOS2 (0.55) MEN1KMT2ANOS2NPC1RAB9A
Hydrochloric Acid SCHEMBL1919379 0.83 NOS2 (0.54) MEN1KMT2ANOS2NPC1RAB9A
SCHEMBL20025220 0.82 NOS2 (0.55) MEN1KMT2ANOS2PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 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 (3 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 MEN1 4124/4885HTT 3458/4885KMT2A 1733/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 MEN1 4124/4885HTT 3458/4885KMT2A 1733/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 MEN1 4124/4885HTT 3458/4885KMT2A 1733/4885

“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.