SCHEMBL5122252

SCHEMBL5122252

CS(=O)(=O)CCNc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ccc(-c3cnc(N)s3)nc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
CA1 P00915 15/20 0.42
CA2 P00918 15/20 0.42
CA9 Q16790 15/20 0.42
CA12 O43570 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CDK2 P24941 1/20 0.37
CLK1 P49759 1/20 0.37
RAB9A P51151 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
ILK Q13418 1/20 0.37
ALOX5 P09917 1/20 0.37
LTB4R Q15722 1/20 0.37
MRGPRX1 Q96LB2 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
SCHEMBL5114595 0.90 TLR8 (0.38) KDM4EMAPTNPC1CDK2CDK5
SCHEMBL5115045 0.86 KDM4E (0.42) KDM4EMAPTNPC1CA1CA2
SCHEMBL5115282 0.84 AXL (0.43) KDM4EMAPTNPC1CA1CA2
SCHEMBL5121996 0.83 PTGS2 (0.46) KDM4EMAPTNPC1CA1CA2
SCHEMBL5122541 0.82 CA1 (0.51) KDM4EMAPTNPC1CA1CA2
SCHEMBL5112686 0.79 IKBKB (0.40) KDM4EMAPTNPC1CA1CA2
SCHEMBL5116290 0.77 CA1 (0.41) KDM4EMAPTNPC1CA1CA2
SCHEMBL5107941 0.77 HPGD (0.41) KDM4EMAPTNPC1CA1CA2
SCHEMBL14131775 0.77 KDM4E (0.39) KDM4EMAPTNPC1CA1CA2
SCHEMBL5116062 0.76 PTGS2 (0.46) MAPTCDK2CDK5

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.