SCHEMBL13360799

SCHEMBL13360799

C=C1CCc2c(-c3ccc(F)cc3)nc3[nH]nc(N)c3c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.38
KDR P35968 2/20 0.38
MAPK14 Q16539 2/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
FLT1 P17948 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
MAP2K2 P36507 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
SCHEMBL13329319 0.84 EPHA4 (0.44) ABL1KDRMAPK14DAPK3PRKD3
SCHEMBL13360787 0.83 EPHA4 (0.53) ABL1KDRMAPK14DAPK3PRKD3
SCHEMBL13360843 0.83 BTK (0.42) ABL1KDRMAP4K4MAPK8MAPK9
SCHEMBL13360782 0.82 EPHA4 (0.45) EPHA4
SCHEMBL13360771 0.82 PIK3CD (0.40) ABL1KDRLCKTNK2ROCK1
SCHEMBL13360769 0.81 HTR7 (0.38) ABL1KDRMAPK14DAPK3PRKD3
SCHEMBL13360812 0.80 BTK (0.41) ABL1KDRGSK3AGSK3BLRRK2
SCHEMBL13360811 0.79 EPHA4 (0.36) MAP2K1EPHA4
SCHEMBL13360783 0.78 EPHA4 (0.34) ABL1KDRMAPK14DAPK3PRKD3
SCHEMBL13329546 0.77 ALPL (0.38) ABL1KDRMAPK14DAPK3PRKD3

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 ABL1 20/4885KDR 41/4885MAPK14 146/4885

“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.