SCHEMBL13360784

SCHEMBL13360784

C=C1CCc2c(-c3ccccc3C(N)=O)nc3[nH]nc(N)c3c2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.34
ABL1 P00519 6/20 0.32
BCR P11274 6/20 0.32
EPHA4 P54764 2/20 0.32
CSNK1A1 P48729 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
BCAT2 O15382 1/20 0.32
NUDT1 P36639 1/20 0.32
KIT P10721 2/20 0.31
FLT3 P36888 2/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
NTRK1 P04629 1/20 0.31
INSR P06213 1/20 0.31
LCK P06239 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL13360788 0.83 EPHA4 (0.48) KDRABL1BCREPHA4JAK2
SCHEMBL13360769 0.83 HTR7 (0.38) KDRABL1EPHA4CSNK1A1TYRO3
SCHEMBL13360793 0.82 HRH3 (0.37) KDRABL1EPHA4CSNK1A1DYRK1B
SCHEMBL13360842 0.80 EGFR (0.37) EPHA4
SCHEMBL13360783 0.77 EPHA4 (0.34) KDRABL1EPHA4CSNK1A1TYRO3
SCHEMBL13360819 0.76 PIK3CD (0.37) KDRABL1CSNK1A1TYRO3DYRK1B
SCHEMBL13360811 0.76 EPHA4 (0.36) EPHA4
SCHEMBL13360843 0.75 BTK (0.42) KDRABL1FLT3SRCGSK3B
SCHEMBL13360787 0.74 EPHA4 (0.53) KDRABL1EPHA4CSNK1A1TYRO3
SCHEMBL13360799 0.73 ABL1 (0.38) KDRABL1BCREPHA4CSNK1A1

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 KDR 41/4885ABL1 20/4885BCR 220/4885

“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.