SCHEMBL752231

SCHEMBL752231

Cn1ncnc1-c1cc(=O)c2c(O)cccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.56
ATM Q13315 1/20 0.55
CYP3A4 P08684 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALOX15 P16050 2/20 0.53
CYP1A1 P04798 2/20 0.53
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1B1 Q16678 1/20 0.53
FTO Q9C0B1 1/20 0.53
MAPK1 P28482 2/20 0.52
RAF1 P04049 1/20 0.52
HPGD P15428 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALOX5 P09917 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL756808 0.79 AR (0.42) ARATMCYP3A4MAPTMEN1
SCHEMBL752352 0.76 AR (0.40) ARATMCYP3A4MAPTALDH1A1
SCHEMBL757274 0.76 BCHE (0.50) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL753327 0.75 AR (0.47) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL12636899 0.72 AR (1.00) ARATMCYP3A4MAPTMEN1
SCHEMBL6094870 0.71 CYP3A4 (0.85) ARATMCYP3A4MAPTMEN1
SCHEMBL620145 0.71 MAPT (0.64) ARATMCYP3A4MAPTMEN1
SCHEMBL31670262 0.71 MAPT (0.64) ARATMCYP3A4MAPTMEN1
SCHEMBL14145325 0.70 CYP3A4 (0.76) ARATMCYP3A4MAPTMEN1
SCHEMBL311843 0.70 CYP3A4 (0.59) ARATMCYP3A4MAPTMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI AR 469/4885ATM 2580/4885CYP3A4 481/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI AR 469/4885ATM 2580/4885CYP3A4 481/4885

“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.