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SCHEMBL3905943

SCHEMBL3905943

CC(=O)N1CCCC(Cc2c(O)c(O)c3n(c2=O)CCN(Cc2ccc(F)cc2)C3=O)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ CCR3 P51677 4/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ GRM2 Q14416 1/20 0.35

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
SCHEMBL3903992 0.90 TP53 (0.43) TP53CYP2D6KCNH2POLBAKR1B1
SCHEMBL3906453 0.85 CCR3 (0.39) CCR3CYP2D6
SCHEMBL3905591 0.84 TP53 (0.41) TP53SMN1; SMN2KCNH2POLBAKR1B1
SCHEMBL2900410 0.82 ALDH1A1 (0.40) TP53ALDH1A1CYP2D6KCNH2POLB
SCHEMBL3905517 0.82 TP53 (0.39) TP53SMN1; SMN2KCNH2POLBAKR1B1
SCHEMBL3910459 0.81 TP53 (0.42) TP53ALDH1A1SMN1; SMN2CCR3CYP2D6
SCHEMBL3910510 0.81 POLB (0.37) TP53ALDH1A1CYP2D6KCNH2DRD2
SCHEMBL3910741 0.81 TP53 (0.49) TP53
SCHEMBL2891922 0.80 TP53 (0.43) TP53ALDH1A1SMN1; SMN2CCR3CYP2D6
SCHEMBL3914367 0.76 KCNH2 (0.35) TP53ALDH1A1CYP2D6KCNH2POLB

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 8 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-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
EP-1549315-A4 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-05-23 — — EP disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 — — US disclosed
EP-1549315-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-07-06 — — EP disclosed
WO-2004024078-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2004-03-25 — — 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-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors DHPS, DUT, CDKN1A TP53 477/4885ALDH1A1 451/4885SMN1; SMN2 3798/4885

“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.