SCHEMBL4808364

SCHEMBL4808364

CN(C)C(=O)C=Cc1cnc(-c2ccccc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.48
NR4A2 P43354 1/20 0.46
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IP6K1 Q92551 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
SCN2A Q99250 3/20 0.41
NPY5R Q15761 2/20 0.41
PADI4 Q9UM07 1/20 0.41
RECQL P46063 1/20 0.40
NQO2 P16083 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 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
SCHEMBL8740568 0.84 PIN1 (0.54) PIN1NR4A2MEN1NPC1USP2
SCHEMBL18051320 0.78 SCN2A (0.45) PIN1MEN1NPC1POLBMAPT
SCHEMBL2293472 0.72 SCN2A (0.55) PIN1MEN1NPC1USP2POLB
SCHEMBL20308844 0.71 NPSR1 (0.41) PIN1MEN1NPC1USP2POLB
SCHEMBL4810690 0.69 NR4A2 (0.52) NR4A2MEN1NPC1POLBMAPT
SCHEMBL14196050 0.69 PIN1 (0.59) PIN1MEN1NPC1POLBMAPT
SCHEMBL4808367 0.69 PIN1 (0.59) PIN1MEN1NPC1POLBMAPT
SCHEMBL9590158 0.69 HDAC2 (0.59) NR4A2NPC1L3MBTL1IP6K1IP6K2
N,N-Dimethylcinnamamide SCHEMBL783551 0.68 NPC1 (0.65) NPC1MAPTRAB9AKMT2AL3MBTL1
N,N-Dimethylcinnamamide SCHEMBL3743395 0.68 NPC1 (0.65) NPC1MAPTRAB9AKMT2AL3MBTL1

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-7361665-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-22 US disclosed
US-20040097531-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-05-20 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-20040097531-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases LCK, AURKC, CDK5 PIN1 1062/4885NR4A2 3964/4885MEN1 3978/4885

“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.