SCHEMBL5116734

SCHEMBL5116734

CC(C)N1CCN(S(=O)(=O)c2cc(-c3ccc4nc(NCc5ccc(S(N)(=O)=O)cc5)nc(NCC(F)(F)F)c4n3)ccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
PTGS2 P35354 2/20 0.37
CA1 P00915 12/20 0.35
CA2 P00918 12/20 0.35
CA9 Q16790 12/20 0.35
CA12 O43570 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CDK2 P24941 1/20 0.34
CLK1 P49759 1/20 0.34
RAB9A P51151 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CNR2 P34972 1/20 0.34
IKBKE Q14164 2/20 0.32
TBK1 Q9UHD2 2/20 0.32
STK17B O94768 1/20 0.32
CSF1R P07333 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL5121289 0.93 MAPT (0.40) KDM4EMAPTNPC1PTGS2CA1
SCHEMBL5123047 0.89 KDM4E (0.39) KDM4EMAPTNPC1PTGS2CA1
SCHEMBL5116201 0.87 PTGS2 (0.44) KDM4EMAPTNPC1PTGS2CA1
SCHEMBL5122864 0.84 NAMPT (0.40) MAPTPTGS2
SCHEMBL5114873 0.82 CA1 (0.42) KDM4EMAPTNPC1PTGS2CA1
SCHEMBL1792387 0.82 SYK (0.45) KDM4EMAPTPTGS2CLK1CNR2
SCHEMBL5116014 0.82 CA1 (0.40) KDM4EMAPTNPC1PTGS2CA1
SCHEMBL5121181 0.81 DNMT3A (0.41) PTGS2CA1CA2CA12CA4
SCHEMBL5112750 0.81 PTGS2 (0.44) KDM4EMAPTNPC1PTGS2CA1
SCHEMBL5115265 0.81 PIK3CD (0.39) KDM4EMAPTNPC1PTGS2CA1

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 KDM4E 3976/4885MAPT 3290/4885NPC1 2244/4885

“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.