SCHEMBL13329403

SCHEMBL13329403

CC1(C)Cc2c(-c3ccccc3Cl)nc3[nH]nc(N)c3c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA4 P54764 2/20 0.45
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
GAA P10253 1/20 0.37
HTR7 P34969 1/20 0.36
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
MAPK14 Q16539 4/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALPL P05186 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 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
SCHEMBL13329568 0.91 EPHA4 (0.47) EPHA4JAK2JAK1TYK2JAK3
SCHEMBL13329392 0.87 EPHA4 (0.46) EPHA4JAK2JAK1TYK2JAK3
SCHEMBL13329407 0.83 HSD11B1 (0.36) PTPN11DPP4HSD11B1
SCHEMBL13329387 0.83 ALDH1A1 (0.43) JAK2GAANPC1HPGDRAB9A
SCHEMBL13329477 0.81 EPHA4 (0.66) EPHA4JAK2JAK1TYK2JAK3
SCHEMBL13329343 0.81 EPHA4 (0.62) EPHA4JAK2JAK1TYK2JAK3
SCHEMBL13329380 0.81 EPHA4 (0.45) EPHA4JAK2JAK1TYK2JAK3
SCHEMBL13329637 0.81 EPHA4 (0.65) EPHA4JAK2JAK1TYK2JAK3
SCHEMBL13329545 0.78 EPHA4 (0.48) EPHA4JAK1TYK2JAK3GAA
SCHEMBL13329537 0.77 EPHA4 (0.47) EPHA4JAK2JAK1TYK2JAK3

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 EPHA4 1/4885JAK2 186/4885JAK1 61/4885

“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.