SCHEMBL1793498

SCHEMBL1793498

C[C@@H](Nc1nc(NCC(F)(F)F)c2nc(-c3ccc(OC(F)F)c(S(C)(=O)=O)c3)ccc2n1)c1ccc(-n2cncn2)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.32
SYK P43405 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL12613108 0.93 SYK (0.37) SYKLRRK2
SCHEMBL12613255 0.91 MAT2A (0.31) MAT2ASYK
SCHEMBL12613172 0.90 MAT2A (0.33) MAT2ASYKLRRK2
SCHEMBL1791217 0.86 LRRK2 (0.31) SYKLRRK2
SCHEMBL12613054 0.86 SYK (0.33) MAT2ASYK
SCHEMBL1794804 0.85 EGFR (0.34)
SCHEMBL1794395 0.85 EGFR (0.34)
SCHEMBL5112744 0.82 GPR55 (0.38)
SCHEMBL1789999 0.82 NR1H2 (0.34)
SCHEMBL1790661 0.81 PTGS2 (0.33) SYKLRRK2

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-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 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-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD MAT2A 544/4885SYK 3677/4885LRRK2 3847/4885

“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.