SCHEMBL3902851

SCHEMBL3902851

O=C1c2c(O)c(O)c(CN3CCCCC3)c(=O)n2CCN1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.42
HTR2C P28335 4/20 0.42
KCNH2 Q12809 1/20 0.41
GRM2 Q14416 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
AKR1B1 P15121 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37

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
SCHEMBL3906273 0.88 ALDH1A1 (0.40) KCNH2HRH3ALDH1A1POLB
SCHEMBL4161826 0.83 KCNH2 (0.45) MCHR1HTR2CKCNH2GRM2HRH3
SCHEMBL3908175 0.83 ALDH1A1 (0.44) MCHR1KCNH2GRM2AKR1B1RAB9A
SCHEMBL3903227 0.83 KCNH2 (0.38) MCHR1KCNH2GRM2HRH3AKR1B1
SCHEMBL3901489 0.82 KCNH2 (0.41) MCHR1KCNH2GRM2HRH3AKR1B1
SCHEMBL3901468 0.80 KCNH2 (0.45) KCNH2GRM2HRH3AKR1B1RAB9A
SCHEMBL3904439 0.80 GRM2 (0.50) KCNH2GRM2HRH3AKR1B1RAB9A
SCHEMBL3902833 0.80 GRM2 (0.47) KCNH2GRM2HRH3AKR1B1RAB9A
SCHEMBL3906453 0.80 CCR3 (0.39) MEN1KMT2A
SCHEMBL2897881 0.79 KCNH2 (0.42) MCHR1HTR2CKCNH2GRM2AKR1B1

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 MCHR1 2935/4885HTR2C 2481/4885KCNH2 1426/4885

“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.