SCHEMBL13329263

SCHEMBL13329263

Cc1cc(-c2ccccc2Cl)nc2[nH]nc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PLA2G7 Q13093 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
HSD11B1 P28845 1/20 0.40
ALPL P05186 2/20 0.39
IDO1 P14902 1/20 0.39
EPHA4 P54764 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
SCHEMBL13329259 0.87 PRKDC (0.42) JAK2JAK1TYK2JAK3GAA
SCHEMBL13329694 0.84 JAK2 (0.47) HSP90AA1HSP90AB1JAK2JAK1TYK2
SCHEMBL13329255 0.80 MAPT (0.49) JAK2GSK3AGSK3BGAARAB9A
SCHEMBL13329676 0.76 JAK1 (0.47) JAK2JAK1TYK2JAK3ADORA2A
SCHEMBL13360836 0.74 HEXA (0.40) JAK2JAK1TYK2JAK3ADORA2A
SCHEMBL7256504 0.71 JAK2 (0.51) HSP90AA1HSP90AB1JAK2JAK1TYK2
SCHEMBL13329343 0.71 EPHA4 (0.62) JAK2JAK1TYK2JAK3GAA
SCHEMBL13329477 0.71 EPHA4 (0.66) JAK2JAK1TYK2JAK3GAA
SCHEMBL13329403 0.71 EPHA4 (0.45) JAK2JAK1TYK2JAK3GAA
SCHEMBL13329790 0.71 ABL1 (0.39) JAK1TYK2JAK3RAB9ASMN1; SMN2

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 HSP90AA1 3537/4885HSP90AB1 3293/4885JAK2 186/4885

“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.