SCHEMBL14129804

SCHEMBL14129804

Cc1n[nH]c2ccc(C(=O)C(C)C)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
DBH P09172 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
MAPK1 P28482 15/20 0.45
MAP2K4 P45985 2/20 0.43
MAPKAPK3 Q16644 2/20 0.43
MAPK6 Q16659 2/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43
MAPK3 P27361 7/20 0.42
CYP1A2 P05177 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL31504557 0.82 MAP2K4 (0.57) KDM4ERECQLMAPK1MAP2K4MAPKAPK3
SCHEMBL1145076 0.82 MAP2K4 (0.57) KDM4ERECQLMAPK1MAP2K4MAPKAPK3
SCHEMBL16308650 0.82 KIF11 (0.50) KDM4EMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL23559721 0.81 MAP2K4 (0.58) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL6618549 0.78 ADORA2A (0.43) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4137054 0.78 MAPK1 (0.43) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4403122 0.78 MAPK1 (0.43) KDM4EMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL1501529 0.78 KDM4E (0.55) KDM4EMAP2K4DYRK1A
SCHEMBL4780688 0.77 JAK2 (0.50) KDM4EGAAMAPK1MAP2K4MAPKAPK3
SCHEMBL24814135 0.75 ABL1 (0.48) KDM4EDBHGAARECQLJAK2

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-8846742-B2 Neuronal pain pathway modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-30 US disclosed
US-20080176920-A1 protein kinase G inhibitors; analogs of balanol THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2008-07-24 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-20080176920-A1 protein kinase G inhibitors; analogs of balanol PRKCG, GRK3, PRKG1 KDM4E 2960/4885DBH 1321/4885GAA 1689/4885

“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.