SCHEMBL3988076

SCHEMBL3988076

COc1c2n(c3c(C(C)Cl)nn(Cc4ccc(F)cc4)c(=O)c13)CCN(C)C2=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.35
PKLR P30613 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 1/20 0.33
KCNH2 Q12809 1/20 0.32
GRM2 Q14416 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TACR1 P25103 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL3985372 0.93 PKM (0.35) PKMPKLRTMEM97SIGMAR1MAPT
SCHEMBL3992326 0.85 PKM (0.31) PKMPKLRMAPTTSHRALDH1A1
SCHEMBL3983975 0.85 PKM (0.36) PKMPKLRTMEM97SIGMAR1MAPT
SCHEMBL3984050 0.85 PKM (0.36) PKMPKLRTMEM97SIGMAR1MAPT
SCHEMBL3987916 0.84 PKM (0.36) PKMPKLRTMEM97SIGMAR1MAPT
SCHEMBL3992325 0.84 PKM (0.30) PKMPKLR
SCHEMBL3985393 0.83 MEN1 (0.43) PKMPKLRTMEM97SIGMAR1MAPT
SCHEMBL3987107 0.82 PKM (0.34) PKMPKLRTMEM97SIGMAR1MAPT
SCHEMBL3987610 0.81 PKM (0.36) PKMPKLRTMEM97SIGMAR1MAPT
SCHEMBL1384168 0.81 PKM (0.36) PKMPKLRTMEM97SIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 519/4885TMEM97 2707/4885

“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.