SCHEMBL4573162

SCHEMBL4573162

CNS(=O)(=O)Cc1ccc(C[NH])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR1F P30939 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR5A P47898 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38

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
SCHEMBL8261072 0.81 HPGD (0.48) ALKBH5CA1CA2MMP1MMP2
SCHEMBL9046172 0.81 GAA (0.48) ALKBH5CA1CA2MMP1MMP2
SCHEMBL631823 0.79 CYP3A4 (0.46) ALKBH5CA1CA2MMP1MMP2
SCHEMBL955244 0.79 PSIP1 (0.48) ALKBH5CA1CA2MMP1MMP2
SCHEMBL7665056 0.79 KDM4E (0.54) ALKBH5CA1CA2HPGDKDM4E
SCHEMBL24140260 0.79 HPGD (0.47) ALKBH5CA1CA2MMP1MMP2
SCHEMBL16738666 0.79 ESR1 (0.46) ALKBH5CA1CA2MMP1MMP2
SCHEMBL10153979 0.79 KMT2A (0.53) ALKBH5CA1CA2MMP1MMP2
SCHEMBL7145768 0.79 ALKBH5 (0.42) ALKBH5CA1CA2MMP1MMP2
SCHEMBL1678842 0.79 TAAR1 (0.45) ALKBH5CA1CA2MMP1MMP2

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 ALKBH5 2978/4885CA1 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.