SCHEMBL4096584

SCHEMBL4096584

COc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NCC(C)C)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.71
ALK Q9UM73 11/20 0.71
INSR P06213 7/20 0.71
IGF1R P08069 6/20 0.71
ZAP70 P43403 6/20 0.71
FGFR1 P11362 2/20 0.71
FGFR2 P21802 2/20 0.71
FGFR4 P22455 2/20 0.71
FGFR3 P22607 2/20 0.71
BMPR1B O00238 1/20 0.71
PLK4 O00444 1/20 0.71
STK25 O00506 1/20 0.71
RIOK3 O14730 1/20 0.71
CHEK1 O14757 1/20 0.71
CASK O14936 1/20 0.71
AURKA O14965 1/20 0.71
GAK O14976 1/20 0.71
DCLK1 O15075 1/20 0.71
MUSK O15146 1/20 0.71
EPHB6 O15197 1/20 0.71

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
SCHEMBL4103316 0.95 ALK (0.64) EGFRALKINSRIGF1RZAP70
SCHEMBL4100628 0.94 ALK (0.81) EGFRALKINSRIGF1RZAP70
SCHEMBL12780199 0.93 ULK1 (0.63) EGFRALKINSRIGF1RZAP70
SCHEMBL4089365 0.90 ALK (0.69) EGFRALKINSRIGF1RZAP70
SCHEMBL12780998 0.90 EGFR (0.77) EGFRALKINSRIGF1RZAP70
SCHEMBL12780039 0.89 EGFR (0.71) EGFRALKINSRIGF1RZAP70
SCHEMBL4099900 0.89 EGFR (0.70) EGFRALKINSRIGF1RZAP70
SCHEMBL12781009 0.88 ZAP70 (0.80) EGFRALKINSRIGF1RZAP70
SCHEMBL12780216 0.88 ZAP70 (0.78) EGFRALKINSRIGF1RZAP70
SCHEMBL12781283 0.88 ALK (0.71) EGFRALKINSRIGF1RZAP70

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 4 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
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 EGFR 3112/4885ALK 2060/4885INSR 2047/4885

“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.