SCHEMBL1790697

SCHEMBL1790697

CC(Nc1nc(NCC(F)(F)F)c2nc(-c3cccc(S(C)(=O)=O)c3)ccc2n1)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.41
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 2/20 0.36
EGFR P00533 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
PTGS2 P35354 2/20 0.35
NPR1 P16066 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PTGS1 P23219 1/20 0.35
MAP4K4 O95819 2/20 0.34
SYK P43405 1/20 0.34
PFKFB3 Q16875 1/20 0.34
IDH1 O75874 1/20 0.33
PLK4 O00444 1/20 0.33

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
SCHEMBL1790696 1.00 PTK2 (0.41) PTK2NR1H2NR1H3EGFRGPR55
SCHEMBL1792415 0.91 GPR55 (0.45) PTK2GPR55PTGS2CA1CA2
SCHEMBL1792002 0.90 NR1H2 (0.35) PTK2NR1H2NR1H3EGFRGPR55
SCHEMBL1792207 0.88 PTGS2 (0.34) PTK2NR1H2NR1H3EGFRGPR55
SCHEMBL1792277 0.87 PTK2 (0.48) PTK2PTGS2CA1CA2CA9
SCHEMBL1789249 0.87 TAAR1 (0.34) PTK2EGFRGPR55PTGS2CA1
SCHEMBL5107956 0.86 GPR55 (0.38) GPR55CA1CA2CA9PTGS1
SCHEMBL1791260 0.86 PDE5A (0.37) NR1H2PTGS2NPR1CA1CA2
SCHEMBL1794395 0.85 EGFR (0.34) NR1H2NR1H3EGFRGPR55PTGS2
SCHEMBL1794804 0.85 EGFR (0.34) NR1H2NR1H3EGFRGPR55PTGS2

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 PTK2 4809/4885NR1H2 852/4885NR1H3 954/4885

“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.