SCHEMBL4559637

SCHEMBL4559637

Nc1ncc(C(=O)Nc2ccccc2)c(Oc2c(F)c(F)c(F)c(F)c2F)n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.45
PRKCI P41743 1/20 0.44
XPO1 O14980 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATR Q13535 3/20 0.41
EPAS1 Q99814 1/20 0.41

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 0.85 KMT2A (0.51) PTPN11PRKCIKMT2AMEN1LMNA
SCHEMBL4559175 0.80 MEN1 (0.55) PTPN11PRKCIKMT2AMEN1LMNA
SCHEMBL5686380 0.80 ATR (0.48) PTPN11XPO1MAPTATREPAS1
SCHEMBL16465324 0.79 PRKCI (0.52) PTPN11PRKCIXPO1KMT2AMEN1
SCHEMBL11298985 0.78 PTPN11 (0.63) PTPN11PRKCIXPO1KMT2AMEN1
SCHEMBL5686140 0.77 SGMS2 (0.59) GAAKMT2AMEN1ALDH1A1
SCHEMBL5689006 0.77 PTPN11 (0.47) PTPN11GAAKMT2AMEN1
SCHEMBL5686120 0.77 RAB9A (0.53) KMT2AMEN1ALDH1A1MAPT
SCHEMBL4559385 0.73 MAPK10 (0.43) PTPN11LMNAALDH1A1KDM4EMAPT
SCHEMBL4559989 0.71 NPC1 (0.57) PTPN11GAAKMT2AMEN1ALDH1A1

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-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 PTPN11 1278/4885PRKCI 4336/4885XPO1 1661/4885

“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.