SCHEMBL6716083

SCHEMBL6716083

CCOC(=O)C(Cl)Cc1cc(-c2ncnc(C(F)F)c2Cl)c(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
JAK2 O60674 2/20 0.31
JAK3 P52333 2/20 0.31
PRKDC P78527 3/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL6715879 0.87 PRKDC (0.33) CYP3A4CYP2C9JAK2JAK3PRKDC
SCHEMBL6722887 0.85 KMT2A (0.34) CYP3A4CYP2C9KMT2AMEN1JAK2
SCHEMBL6715995 0.79 LMNA (0.32) KMT2AMEN1JAK2JAK3PRKDC
SCHEMBL6727013 0.78 PRKDC (0.32) PRKDCKCNH2
SCHEMBL6715885 0.78 S1PR1 (0.36) JAK2JAK3PRKDCKCNH2
SCHEMBL31118356 0.76 CYP3A4 (0.37) CYP3A4CYP2C9KMT2A
SCHEMBL31118378 0.76 CYP3A4 (0.37) CYP3A4CYP2C9KMT2A
SCHEMBL31118377 0.76 CYP3A4 (0.37) CYP3A4CYP2C9KMT2A
SCHEMBL31118340 0.76 CYP3A4 (0.37) CYP3A4CYP2C9KMT2A
SCHEMBL7892359 0.76 CYP3A4 (0.32) CYP3A4CYP2C9

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-20040092402-A1 Pyrimidine derivatives and herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-05-13 US disclosed
EP-1333029-A1 PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP 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-20040092402-A1 Pyrimidine derivatives and herbicides containing the same DDX41, CBR3, DPYD CYP3A4 663/4885CYP2C9 911/4885KMT2A 442/4885

“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.