SCHEMBL3985497

SCHEMBL3985497

COc1nn(Cc2ccc(F)cc2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.37
PKLR P30613 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 1/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
TP53 P04637 1/20 0.33
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3984969 0.89 PKM (0.38) PKMPKLRTMEM97SIGMAR1KCNH2
SCHEMBL1383893 0.88 PKM (0.37) PKMPKLRMEN1KMT2ATMEM97
SCHEMBL3983532 0.88 PKM (0.44) PKMPKLRKMT2ATMEM97SIGMAR1
SCHEMBL3983836 0.87 PKM (0.39) PKMPKLRTMEM97SIGMAR1KCNH2
SCHEMBL3985794 0.86 PKM (0.37) PKMPKLRTMEM97SIGMAR1KCNH2
SCHEMBL3987610 0.85 PKM (0.36) PKMPKLRKMT2ATMEM97SIGMAR1
SCHEMBL1384168 0.85 PKM (0.36) PKMPKLRKMT2ATMEM97SIGMAR1
SCHEMBL3981562 0.85 MAPT (0.37) PKMPKLRMEN1KMT2ATMEM97
SCHEMBL1384348 0.85 PKM (0.36) PKMPKLRTMEM97SIGMAR1KCNH2
SCHEMBL3985740 0.84 MEN1 (0.43) PKMMEN1KMT2AKCNH2GRM2

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 PKM 1268/4885PKLR 519/4885MEN1 4592/4885

“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.