SCHEMBL13360798

SCHEMBL13360798

Cc1cccc(-c2cc(-c3ccccc3)c3c(N)n[nH]c3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
ADORA2A P29274 1/20 0.48
MKNK2 Q9HBH9 4/20 0.47
MKNK1 Q9BUB5 3/20 0.47
ACHE P22303 3/20 0.47
XDH P47989 1/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 1/20 0.44
MCL1 Q07820 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
AURKB Q96GD4 3/20 0.44
AURKA O14965 2/20 0.44
PDPK1 O15530 1/20 0.44
TGFBR1 P36897 1/20 0.44
LRRK2 Q5S007 1/20 0.44
MAP4K4 O95819 2/20 0.42
CSF1R P07333 2/20 0.42
FGFR1 P11362 2/20 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
SCHEMBL8401462 0.91 BTK (0.56) MKNK2MKNK1ACHEBTK
SCHEMBL2230496 0.88 KDM4E (0.57) ADORA1ADORA2AMKNK2MKNK1ACHE
SCHEMBL29649199 0.87 ACHE (0.59) ADORA1ADORA2AMKNK2MKNK1ACHE
SCHEMBL13329661 0.87 ACHE (0.59) ADORA1ADORA2AMKNK2MKNK1ACHE
SCHEMBL13329692 0.84 MKNK1 (0.47) ADORA1ADORA2AMKNK2MKNK1ACHE
SCHEMBL13329676 0.83 JAK1 (0.47) ADORA1ADORA2AMKNK2MKNK1ACHE
SCHEMBL13329663 0.81 ACHE (0.52) ADORA1ADORA2AMKNK2MKNK1ACHE
SCHEMBL13329685 0.81 XDH (0.49) ADORA1ADORA2AMKNK2MKNK1ACHE
SCHEMBL13329711 0.81 SMN1; SMN2 (0.50) ADORA1ADORA2AKDM4EPOLBAURKB
SCHEMBL2200855 0.80 ADORA2A (0.53) ADORA1ADORA2AMKNK2MKNK1ACHE

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-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MERCK SHARP & DOHME CORP 2010-05-06 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-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER EPHA4, EPHA1, ERBB4 ADORA1 377/4885ADORA2A 583/4885MKNK2 845/4885

“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.