SCHEMBL3119474

SCHEMBL3119474

FC(F)(F)c1nccc(NC2CCCC2)n1

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 18/20 0.88
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KCNH2 Q12809 1/20 0.57
CTSK P43235 1/20 0.54

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
SCHEMBL3115413 0.75 KDM4E (0.58) MALT1CYP3A4CYP2C9CYP2C19CTSK
SCHEMBL1976461 0.75 HRH3 (0.73) MALT1CYP3A4CTSK
SCHEMBL3451280 0.75 CTSK (0.58) MALT1CYP3A4CTSK
SCHEMBL22877055 0.74 MAPK1 (0.76) MALT1CTSK
SCHEMBL24441137 0.74 MALT1 (1.00) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL24441136 0.74 MALT1 (1.00) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL19174443 0.73 CTSK (0.60) MALT1CYP3A4CTSK
SCHEMBL29191323 0.73 KDM4E (0.61) MALT1CYP3A4CYP2C9CYP2C19CTSK
SCHEMBL30823266 0.73 KDM4E (0.61) MALT1CYP3A4CYP2C9CYP2C19CTSK
SCHEMBL18607635 0.72 IDH1 (0.57) MALT1KCNH2CTSK

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-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
CN-101193868-A Pyrimidine derivatives for the treatment of GABA B mediated nervous system disorders NOVARTIS AG (CH) 2008-06-04 CN 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 MALT1 4573/4885CYP3A4 1078/4885CYP2C9 1233/4885

“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.