SCHEMBL13360771

SCHEMBL13360771

C=C1CCc2c(-c3ccc4cc[nH]c4c3)nc3[nH]nc(N)c3c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.40
ABL1 P00519 3/20 0.40
EGFR P00533 3/20 0.40
HCK P08631 3/20 0.40
SRC P12931 3/20 0.40
KDR P35968 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CB P42338 3/20 0.40
MTOR P42345 3/20 0.40
PIK3CG P48736 3/20 0.40
EPHB4 P54760 3/20 0.40
PRKDC P78527 3/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
BACE1 P56817 1/20 0.36
BTK Q06187 3/20 0.35
RIPK2 O43353 1/20 0.34
BRD4 O60885 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL13360812 0.94 BTK (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL13360843 0.86 BTK (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL13360799 0.82 ABL1 (0.38) ABL1KDRADORA2ADYRK1BLCK
SCHEMBL13360819 0.80 PIK3CD (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL13329570 0.79 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL13360811 0.75 EPHA4 (0.36)
SCHEMBL13360769 0.73 HTR7 (0.38) ABL1KDRADORA2AADORA1DYRK1B
SCHEMBL13360788 0.73 EPHA4 (0.48) ABL1KDRJAK2JAK3
SCHEMBL13360787 0.73 EPHA4 (0.53) ABL1KDRDYRK1BLCKROCK1
SCHEMBL13329571 0.73 BTK (0.40) PIK3CDABL1EGFRHCKSRC

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 PIK3CD 155/4885ABL1 20/4885EGFR 16/4885

“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.