SCHEMBL4099092

SCHEMBL4099092

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)CC(C)C)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.72
INSR P06213 7/20 0.72
IGF1R P08069 6/20 0.72
EGFR P00533 5/20 0.68
ZAP70 P43403 5/20 0.68
MAP3K7 O43318 2/20 0.68
MET P08581 2/20 0.68
FGFR1 P11362 2/20 0.68
FGFR2 P21802 2/20 0.68
FGFR4 P22455 2/20 0.68
FGFR3 P22607 2/20 0.68
AXL P30530 2/20 0.68
NEK2 P51955 2/20 0.68
ROS1 P08922 2/20 0.68
BMPR1B O00238 1/20 0.68
PLK4 O00444 1/20 0.68
STK25 O00506 1/20 0.68
RIOK3 O14730 1/20 0.68
CHEK1 O14757 1/20 0.68
CASK O14936 1/20 0.68

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
SCHEMBL4104135 0.92 ZAP70 (0.76) ALKINSRIGF1REGFRZAP70
SCHEMBL4095997 0.92 ALK (0.75) ALKINSRIGF1REGFRZAP70
SCHEMBL4100250 0.91 ALK (0.73) ALKINSRIGF1REGFRZAP70
SCHEMBL18843559 0.87 ALK (0.87) ALKINSRIGF1REGFRZAP70
SCHEMBL4099900 0.87 EGFR (0.70) ALKINSRIGF1REGFRZAP70
SCHEMBL381697 0.86 ZAP70 (0.76) ALKINSRIGF1REGFRZAP70
SCHEMBL13394910 0.85 ALK (0.84) ALKINSRIGF1REGFRZAP70
SCHEMBL26451583 0.85 EGFR (0.77) ALKINSRIGF1REGFRZAP70
SCHEMBL30123962 0.85 EGFR (0.77) ALKINSRIGF1REGFRZAP70
SCHEMBL4100983 0.84 ZAP70 (0.79) ALKINSRIGF1REGFRZAP70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US claimed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP claimed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO claimed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS ALK 2060/4885INSR 2047/4885IGF1R 4608/4885

“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.