SCHEMBL5114632

SCHEMBL5114632

CS(=O)(=O)Nc1cc(-c2ccc3nc(NCc4ccc(S(N)(=O)=O)cc4)nc(NCC(F)(F)F)c3n2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
CA1 P00915 10/20 0.40
CA2 P00918 10/20 0.40
CA9 Q16790 10/20 0.40
PTGS1 P23219 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
STK17B O94768 1/20 0.38
CSF1R P07333 1/20 0.38
IKBKE Q14164 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ULK3 Q6PHR2 1/20 0.38
NUAK2 Q9H093 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL5121941 0.91 PTGS2 (0.40) PTGS2CA1CA2CA9PTGS1
SCHEMBL1794704 0.89 PTGS2 (0.43) PTGS2CA1CA2CA9PTGS1
SCHEMBL5116059 0.88 PTGS2 (0.45) PTGS2CA1CA2CA9PTGS1
SCHEMBL5112750 0.87 PTGS2 (0.44) PTGS2CA1CA2CA9PTGS1
SCHEMBL5108636 0.86 PTGS2 (0.45) PTGS2CA1CA2CA9PTGS1
SCHEMBL1791314 0.86 PTGS2 (0.48) PTGS2CA1CA2CA9PTGS1
SCHEMBL5112341 0.85 PTGS2 (0.48) PTGS2CA1CA2CA9PTGS1
SCHEMBL5115285 0.84 PTGS2 (0.48) PTGS2CA1CA2CA9KDM4E
SCHEMBL1792908 0.84 PTGS2 (0.43) PTGS2CA1CA2CA9PTGS1
SCHEMBL1792277 0.84 PTK2 (0.48) PTGS2CA1CA2CA9PTGS1

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP PTGS2 1073/4885CA1 4802/4885CA2 4444/4885

“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.