SCHEMBL3985740

SCHEMBL3985740

COc1nn(C)c(=O)c2c(O)c3n(c12)CCN(Cc1ccc(F)cc1)C3=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.42
GRM2 Q14416 1/20 0.42
TP53 P04637 2/20 0.36
POLB P06746 2/20 0.36
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
SCD O00767 1/20 0.35
PKM P14618 2/20 0.34
AKR1B1 P15121 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL16253862 0.89 KCNH2 (0.41) MEN1KMT2AKCNH2GRM2TP53
SCHEMBL3985751 0.88 GRM2 (0.45) MEN1KMT2AKCNH2GRM2TP53
SCHEMBL3982142 0.87 KCNH2 (0.42) MEN1KMT2AKCNH2GRM2TP53
SCHEMBL3985497 0.84 PKM (0.37) MEN1KMT2AKCNH2GRM2TP53
SCHEMBL3988053 0.83 KCNH2 (0.39) MEN1KMT2AKCNH2GRM2TP53
SCHEMBL3985478 0.82 KCNH2 (0.39) MEN1KMT2AKCNH2GRM2TP53
SCHEMBL1387122 0.81 GRM2 (0.43) MEN1KMT2AKCNH2GRM2TP53
SCHEMBL3983983 0.80 GRM2 (0.44) MEN1KMT2AKCNH2GRM2TP53
SCHEMBL3992601 0.79 KCNH2 (0.45) MEN1KMT2AKCNH2GRM2TP53
SCHEMBL4749017 0.79 KCNH2 (0.44) MEN1KMT2AKCNH2GRM2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP MEN1 4592/4885KMT2A 1226/4885KCNH2 1197/4885

“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.