SCHEMBL4757948

SCHEMBL4757948

COc1cccc2c1CCc1cnc(-n3ncc(C(=O)O)c3N)nc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK14 Q16539 2/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
PTPN1 P18031 2/20 0.38
SLC2A1 P11166 1/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
AURKA O14965 3/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
PLK1 P53350 2/20 0.37
CCNA1 P78396 2/20 0.37
TTK P33981 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PLK2 Q9NYY3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL1509545 0.83 UBE2M (0.51) MAPK14UBE2MDCUN1D1SLC2A1KDM4E
SCHEMBL1509665 0.79 ABCB1 (0.45) SCN5ASCN9A
SCHEMBL14090180 0.76 UBE2M (0.52) UBE2MDCUN1D1SLC2A1KDM4EALDH1A1
SCHEMBL1509453 0.73 ALDH1A1 (0.55) NPC1RAB9AUBE2MDCUN1D1SLC2A1
SCHEMBL18172045 0.69 MAPK14 (0.79) MAPK14PTPN1SCN5ASCN9AALDH1A1
SCHEMBL7515239 0.68 CCNA2 (0.44) NPC1RAB9ADCUN1D1AURKACCNA2
SCHEMBL7127977 0.68 MAPK14 (0.39) NPC1RAB9AMAPK14AURKACCNA2
SCHEMBL7119967 0.67 NPC1 (0.41) NPC1RAB9AAURKACCNA2CDK2
SCHEMBL31484117 0.65 PKMYT1 (0.46) NPC1RAB9APTPN1KDM4EALDH1A1
SCHEMBL31484202 0.64 MAPK14 (0.41) NPC1RAB9AMAPK14PTPN1SCN5A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 NPC1 2983/4885RAB9A 2622/4885MAPK14 414/4885

“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.