SCHEMBL4573116

SCHEMBL4573116

O=C1C(O)CCN1c1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
HDAC8 Q9BY41 6/20 0.33
HDAC6 Q9UBN7 6/20 0.33
HDAC1 Q13547 4/20 0.33
MAP4K1 Q92918 2/20 0.33
USP30 Q70CQ3 1/20 0.33
FPR2 P25090 2/20 0.33
PTPN1 P18031 1/20 0.33
FPR1 P21462 1/20 0.33
ROCK2 O75116 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
SCHEMBL826237 0.81 MEN1 (0.50) DDB1CRBNHDAC8HDAC6HDAC1
SCHEMBL3083319 0.81 MEN1 (0.50) DDB1CRBNHDAC8HDAC6HDAC1
SCHEMBL826412 0.81 MEN1 (0.50) DDB1CRBNHDAC8HDAC6HDAC1
SCHEMBL15414922 0.80 DDB1 (0.35) CCNA2CDK2CCNA1DDB1CRBN
SCHEMBL4847013 0.80 DDB1 (0.43) CCNA2CDK2CCNA1DDB1CRBN
SCHEMBL5846834 0.79 ROCK2 (0.50) CCNA2CDK2CCNA1HDAC8HDAC6
SCHEMBL18048847 0.79 ROCK2 (0.50) CCNA2CDK2CCNA1HDAC8HDAC6
SCHEMBL16422794 0.79 FPR2 (0.48) CCNA2CDK2CCNA1FPR2ROCK2
SCHEMBL18048717 0.79 ROCK2 (0.50) CCNA2CDK2CCNA1HDAC8HDAC6
SCHEMBL13846075 0.76 CCNA2 (0.39) CCNA2CDK2CCNA1DDB1CRBN

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 claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
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
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO 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 CCNA2 408/4885CDK2 27/4885CCNA1 372/4885

“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.