SCHEMBL4094096

SCHEMBL4094096

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.71
ALK Q9UM73 10/20 0.70
INSR P06213 7/20 0.70
IGF1R P08069 7/20 0.70
ZAP70 P43403 6/20 0.67
MAP3K7 O43318 2/20 0.67
CHEK1 O14757 2/20 0.67
AURKA O14965 2/20 0.67
NUAK1 O60285 2/20 0.67
JAK2 O60674 2/20 0.67
STK10 O94804 2/20 0.67
PRKD3 O94806 2/20 0.67
CHEK2 O96017 2/20 0.67
ABL1 P00519 2/20 0.67
ERBB2 P04626 2/20 0.67
LCK P06239 2/20 0.67
FYN P06241 2/20 0.67
FES P07332 2/20 0.67
CSF1R P07333 2/20 0.67
YES1 P07947 2/20 0.67

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
SCHEMBL4104330 0.92 ZAP70 (0.79) EGFRALKINSRIGF1RZAP70
SCHEMBL4099900 0.90 EGFR (0.70) EGFRALKINSRIGF1RZAP70
SCHEMBL26451583 0.90 EGFR (0.77) EGFRALKINSRIGF1RZAP70
SCHEMBL30123962 0.90 EGFR (0.77) EGFRALKINSRIGF1RZAP70
SCHEMBL381697 0.88 ZAP70 (0.76) EGFRALKINSRIGF1RZAP70
SCHEMBL18843559 0.86 ALK (0.87) EGFRALKINSRIGF1RZAP70
SCHEMBL4095997 0.85 ALK (0.75) EGFRALKINSRIGF1RZAP70
SCHEMBL4100628 0.84 ALK (0.81) EGFRALKINSRIGF1RZAP70
SCHEMBL4094622 0.84 ALK (0.62) EGFRALKINSRIGF1RZAP70
SCHEMBL13394910 0.84 ALK (0.84) 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 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 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.