SCHEMBL3987450

SCHEMBL3987450

CNC(=O)Nc1nn(Cc2ccc(F)cc2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL3982422 0.91 TMEM97 (0.35) POLBMAPTMAPK1NPSR1PKM
SCHEMBL3985559 0.87 CYP2C9 (0.34) POLBMAPTMAPK1NPSR1PKM
SCHEMBL3991465 0.85 ALDH1A1 (0.37) POLBMAPTCNR2CNR1ALDH1A1
SCHEMBL3984969 0.84 PKM (0.38) MAPTNPSR1PKMPKLRTMEM97
SCHEMBL3983532 0.83 PKM (0.44) MAPTPKMPKLRTMEM97SIGMAR1
SCHEMBL3985287 0.83 POLB (0.34) POLBMAPTMAPK1NPSR1PKM
SCHEMBL3983836 0.82 PKM (0.39) MAPTNPSR1PKMPKLRTMEM97
SCHEMBL1383893 0.82 PKM (0.37) MAPTNPSR1PKMPKLRTMEM97
SCHEMBL3985794 0.82 PKM (0.37) MAPTPKMPKLRTMEM97SIGMAR1
SCHEMBL3985497 0.82 PKM (0.37) MAPTNPSR1PKMPKLRTMEM97

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 4 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 claimed
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

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 POLB 80/4885MAPT 3743/4885MAPK1 790/4885

“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.