SCHEMBL13329699

SCHEMBL13329699

Nc1n[nH]c2nc(-c3ccc4cc[nH]c4c3)cc(-c3ccccc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
BTK Q06187 5/20 0.48
AURKA O14965 4/20 0.48
AURKB Q96GD4 4/20 0.48
PDPK1 O15530 2/20 0.48
TGFBR1 P36897 2/20 0.48
ACHE P22303 3/20 0.45
MKNK1 Q9BUB5 3/20 0.45
MKNK2 Q9HBH9 3/20 0.45
BACE1 P56817 1/20 0.44
JAK2 O60674 4/20 0.43
ROCK1 Q13464 3/20 0.42
KDR P35968 3/20 0.41
KIT P10721 2/20 0.41
FLT3 P36888 2/20 0.41
PLK4 O00444 2/20 0.40
LCK P06239 2/20 0.40
CDK1 P06493 2/20 0.40
CSF1R P07333 2/20 0.40

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
SCHEMBL29649199 0.85 ACHE (0.59) ADORA2AADORA1BTKAURKAAURKB
SCHEMBL13329661 0.85 ACHE (0.59) ADORA2AADORA1BTKAURKAAURKB
SCHEMBL13329702 0.82 ATR (0.47) AURKAAURKBPDPK1TGFBR1ACHE
SCHEMBL2230496 0.81 KDM4E (0.57) ADORA2AADORA1AURKAAURKBPDPK1
SCHEMBL13329688 0.81 ADORA2A (0.53) ADORA2AADORA1BTKAURKAAURKB
SCHEMBL2200855 0.81 ADORA2A (0.53) ADORA2AADORA1BTKAURKAAURKB
SCHEMBL13329692 0.80 MKNK1 (0.47) ADORA2AADORA1BTKAURKAAURKB
SCHEMBL13360798 0.80 ADORA1 (0.48) ADORA2AADORA1BTKAURKAAURKB
SCHEMBL13329663 0.79 ACHE (0.52) ADORA2AADORA1BTKAURKAAURKB
SCHEMBL6116586 0.79 BTK (0.61) BTKACHEMKNK1MKNK2

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-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MERCK SHARP & DOHME CORP 2010-05-06 US disclosed
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 ADORA2A 583/4885ADORA1 377/4885BTK 177/4885

“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.