Sugi Predict

Sugi Predict / Compounds / SCHEMBL3901558

SCHEMBL3901558

SCHEMBL3901558

O=C1c2c(O)c(O)cc(=O)n2CCN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.44
▸ GRM2 Q14416 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL3911352 0.90 GRM2 (0.42) KCNH2GRM2KMT2APOLBCYP2D6
SCHEMBL3914699 0.89 P2RX7 (0.49) KCNH2GRM2KMT2APOLBCYP2C9
SCHEMBL3908475 0.88 ERCC1 (0.52) KCNH2GRM2KMT2AMEN1KDM4E
SCHEMBL3905975 0.87 KCNH2 (0.46) KCNH2GRM2KMT2APOLBCYP2D6
SCHEMBL3908182 0.86 FAAH (0.37) KCNH2GRM2KDM4EALDH1A1HPGD
SCHEMBL3908186 0.85 ERCC1 (0.43) KCNH2KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3910837 0.83 ROCK2 (0.43) L3MBTL1ERCC1ERCC4DRD3
SCHEMBL3908193 0.83 ERCC1 (0.41) KCNH2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL3907766 0.83 ERCC1 (0.44) KCNH2GRM2ERCC1ERCC4
SCHEMBL3903418 0.78 P2RX7 (0.41) KCNH2GRM2KMT2APOLBMEN1

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-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 — — US claimed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 — — US claimed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 — — US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 — — US disclosed
US-7517532-B2 Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2009-04-14 — — US disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 — — 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-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors DHPS, DUT, CDKN1A KCNH2 1426/4885GRM2 4391/4885KMT2A 1270/4885

“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.