SCHEMBL4094604

SCHEMBL4094604

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCC(N4CCN(C)CC4)CC3)ccc2OC)ncc1Br

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.72
IGF1R P08069 10/20 0.72
EGFR P00533 6/20 0.72
PLK4 O00444 3/20 0.72
LCK P06239 3/20 0.72
FYN P06241 3/20 0.72
EPHA2 P29317 3/20 0.72
FLT3 P36888 3/20 0.72
LIMK1 P53667 3/20 0.72
PTK2 Q05397 3/20 0.72
PTK6 Q13882 3/20 0.72
PTK2B Q14289 3/20 0.72
AURKB Q96GD4 3/20 0.72
PRKD2 Q9BZL6 3/20 0.72
SLK Q9H2G2 3/20 0.72
MET P08581 3/20 0.72
FGFR1 P11362 3/20 0.72
FGFR3 P22607 3/20 0.72
CHEK1 O14757 2/20 0.72
AURKA O14965 2/20 0.72

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
SCHEMBL4100866 0.92 ALK (0.66) ALKIGF1REGFRPLK4LCK
SCHEMBL4099002 0.92 ULK1 (0.79) ALKIGF1REGFRPLK4LCK
SCHEMBL4099223 0.91 ALK (0.77) ALKIGF1REGFRPLK4LCK
SCHEMBL4096523 0.89 ALK (0.80) ALKIGF1REGFRPLK4LCK
SCHEMBL12892811 0.89 ULK1 (0.67) ALKIGF1REGFRPLK4LCK
SCHEMBL12781002 0.88 ULK1 (0.77) ALKIGF1REGFRPLK4LCK
SCHEMBL282266 0.88 ULK1 (0.84) ALKIGF1REGFRPLK4LCK
SCHEMBL4095269 0.87 ALK (0.81) ALKIGF1REGFRPLK4LCK
SCHEMBL26906661 0.87 ALK (0.87) ALKIGF1REGFRPLK4LCK
SCHEMBL4100115 0.86 ALK (0.63) ALKIGF1REGFRPLK4LCK

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 2060/4885IGF1R 4608/4885EGFR 3112/4885

“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.