Sugi Predict

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SCHEMBL369064

SCHEMBL369064

COC(=O)c1nc2c(NC(=O)C(=O)N(C)C)cc(N3CCOCC3)cn2c(=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ AKT1 P31749 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PIK3CB P42338 8/20 0.34
▸ PIK3CD O00329 7/20 0.34
▸ PIK3CA P42336 7/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PIK3CG P48736 1/20 0.33
▸ LMNA P02545 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
SCHEMBL367951 0.88 MAPT (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10070438 0.85 MAPT (0.37) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL369593 0.83 MRGPRX4 (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10069928 0.82 MAPT (0.44) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL369222 0.82 CYP2C9 (0.47) MAPTALDH1A1KDM4EPIK3CBPIK3CD
SCHEMBL823499 0.81 MAPT (0.43) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10070061 0.81 MAPT (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL823327 0.74 MAPT (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10070432 0.74 KMT2A (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10070070 0.73 MAPT (0.40) MAPTNPC1RAB9AMEN1KMT2A

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-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 — — US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 — — US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 — — US disclosed
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 — — EP disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 — — WO disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 — — 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 MAPT 4213/4885NPC1 116/4885RAB9A 1172/4885

“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.