SCHEMBL4559385

SCHEMBL4559385

Nc1ncc(C(=O)Nc2ccccc2)c(Oc2ccc(-n3cncn3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
LMNA P02545 3/20 0.40
PTPN11 Q06124 4/20 0.40
SYK P43405 3/20 0.40
ROCK1 Q13464 1/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 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
SCHEMBL4559143 0.83 KMT2A (0.51) LMNAPTPN11KDM4EALDH1A1MAPT
SCHEMBL4559175 0.78 MEN1 (0.55) AURKAAURKBLMNAPTPN11MAPT
SCHEMBL5686120 0.78 RAB9A (0.53) ALDH1A1MAPTSMN1; SMN2
SCHEMBL4559637 0.73 PTPN11 (0.45) LMNAPTPN11KDM4EALDH1A1MAPT
SCHEMBL4559387 0.71 LMNA (0.45) MAPK10LMNAROCK1ICAM1SELE
SCHEMBL4559989 0.71 NPC1 (0.57) PTPN11SYKALDH1A1HPGDSMN1; SMN2
SCHEMBL11298985 0.70 PTPN11 (0.63) LMNAPTPN11KDM4EALDH1A1MAPT
SCHEMBL13919652 0.70 XPO1 (0.60) LMNAALDH1A1HTTKDR
SCHEMBL5686380 0.69 ATR (0.48) PTPN11MAPTKDR
SCHEMBL5686140 0.69 SGMS2 (0.59) ALDH1A1

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-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 MAPK10 3365/4885AURKA 1234/4885AURKB 1625/4885

“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.