SCHEMBL4100628

SCHEMBL4100628

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NCC(C)C)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.81
INSR P06213 12/20 0.81
IGF1R P08069 11/20 0.81
EGFR P00533 6/20 0.81
FGFR1 P11362 3/20 0.81
FGFR2 P21802 3/20 0.81
FGFR4 P22455 3/20 0.81
FGFR3 P22607 3/20 0.81
MET P08581 3/20 0.81
CHEK1 O14757 2/20 0.81
AURKA O14965 2/20 0.81
NUAK1 O60285 2/20 0.81
JAK2 O60674 2/20 0.81
STK10 O94804 2/20 0.81
PRKD3 O94806 2/20 0.81
CHEK2 O96017 2/20 0.81
ABL1 P00519 2/20 0.81
ERBB2 P04626 2/20 0.81
LCK P06239 2/20 0.81
FYN P06241 2/20 0.81

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
SCHEMBL4096584 0.94 EGFR (0.71) ALKINSRIGF1REGFRFGFR1
SCHEMBL4099900 0.94 EGFR (0.70) ALKINSRIGF1REGFRFGFR1
SCHEMBL26906661 0.90 ALK (0.87) ALKINSRIGF1REGFRFGFR1
Tae-684 SCHEMBL282775 0.90 ALK (1.00) ALKINSRIGF1REGFRFGFR1
Tae-684 SCHEMBL29641017 0.90 ALK (1.00) ALKINSRIGF1REGFRFGFR1
SCHEMBL4089365 0.90 ALK (0.69) ALKINSRIGF1REGFRFGFR1
SCHEMBL4103316 0.89 ALK (0.64) ALKINSRIGF1REGFRFGFR1
SCHEMBL4094622 0.88 ALK (0.62) ALKINSRIGF1REGFRFGFR1
SCHEMBL12781372 0.88 ALK (0.80) ALKINSRIGF1REGFRFGFR1
SCHEMBL10207615 0.87 ALK (0.61) ALKINSRIGF1REGFRFGFR1

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.