SCHEMBL4559593

SCHEMBL4559593

Nc1nc(Sc2ccccc2)ncc1C(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 12/20 0.56
PRKCI P41743 1/20 0.54
ATR Q13535 3/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
PRKDC P78527 1/20 0.48

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
SCHEMBL4559784 0.81 PTPN11 (0.48) PTPN11PRKCIATRMEN1ALDH1A1
SCHEMBL11298985 0.81 PTPN11 (0.63) PTPN11PRKCIATRMEN1ALDH1A1
SCHEMBL6582057 0.77 PTPN11 (0.59) PTPN11PRKCIATRMEN1ALDH1A1
SCHEMBL560665 0.76 ATR (0.65) ATRPRKDC
SCHEMBL22573544 0.76 LMNA (0.64) PTPN11PRKCIATRMEN1ALDH1A1
SCHEMBL22573444 0.73 PRKCI (0.58) PTPN11PRKCIATRMEN1ALDH1A1
SCHEMBL22573364 0.72 ATR (0.61) PTPN11PRKCIATRMEN1ALDH1A1
SCHEMBL22573851 0.72 LMNA (0.70) PTPN11PRKCIATRMEN1ALDH1A1
SCHEMBL22573773 0.72 LMNA (0.62) PTPN11PRKCIATRMEN1ALDH1A1
SCHEMBL22573566 0.72 ATR (0.61) PTPN11PRKCIATRMEN1ALDH1A1

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 4336/4885ATR 2872/4885

“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.