SCHEMBL4099109

SCHEMBL4099109

CNC(=O)c1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.76
INSR P06213 9/20 0.76
IGF1R P08069 8/20 0.76
PTK2 Q05397 3/20 0.76
MAPK8 P45983 2/20 0.76
MAPK9 P45984 2/20 0.76
MAPK10 P53779 2/20 0.76
EGFR P00533 2/20 0.76
LRRK2 Q5S007 2/20 0.76
FGFR1 P11362 2/20 0.76
CDC7 O00311 1/20 0.76
PLK4 O00444 1/20 0.76
CHEK1 O14757 1/20 0.76
AURKA O14965 1/20 0.76
DCLK1 O15075 1/20 0.76
PDPK1 O15530 1/20 0.76
DAPK3 O43293 1/20 0.76
DYRK3 O43781 1/20 0.76
JAK2 O60674 1/20 0.76
PRKD3 O94806 1/20 0.76

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
SCHEMBL4088683 0.96 ALK (0.70) ALKINSRIGF1RPTK2MAPK8
SCHEMBL4089439 0.90 ALK (0.81) ALKINSRIGF1RPTK2MAPK8
SCHEMBL1061877 0.88 ALK (0.72) ALKINSRIGF1RPTK2MAPK8
SCHEMBL4103904 0.87 ALK (0.75) ALKINSRIGF1RPTK2MAPK8
SCHEMBL4099216 0.86 ALK (0.75) ALKINSRIGF1RPTK2MAPK8
SCHEMBL4099222 0.86 ALK (0.75) ALKINSRIGF1RPTK2MAPK8
SCHEMBL375524 0.86 PTK2 (1.00) ALKINSRIGF1RPTK2MAPK8
SCHEMBL29378728 0.86 PTK2 (1.00) ALKINSRIGF1RPTK2MAPK8
SCHEMBL29730430 0.86 PTK2 (1.00) ALKINSRIGF1RPTK2MAPK8
SCHEMBL13849411 0.86 INSR (0.56) ALKINSRIGF1RPTK2MAPK8

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-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US claimed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 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-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.