SCHEMBL2900673

SCHEMBL2900673

COc1ccc(-n2c(=O)c(O)c3n(c2=O)CCN(Cc2ccc(F)cc2)C3=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGLN1 Q9GZT9 2/20 0.39
CRHR1 P34998 1/20 0.39
KCNH2 Q12809 2/20 0.38
GRM2 Q14416 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
OXTR P30559 4/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CHRM1 P11229 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL2892100 0.85 TP53 (0.46) MEN1KMT2ARAB9ATP53CYP1A2
SCHEMBL2897893 0.81 CHRM1 (0.44) MEN1KMT2AKCNH2GRM2RAB9A
SCHEMBL2900962 0.79 ALDH1A1 (0.43) MEN1KMT2AKCNH2GRM2RAB9A
SCHEMBL2895560 0.78 MEN1 (0.47) MEN1KMT2AKCNH2GRM2RAB9A
SCHEMBL2890924 0.75 KCNH2 (0.45) MEN1KMT2AKCNH2GRM2RAB9A
SCHEMBL2898100 0.72 MEN1 (0.40) MEN1KMT2AKCNH2GRM2RAB9A
SCHEMBL3902833 0.71 GRM2 (0.47) MEN1KMT2AKCNH2GRM2RAB9A
SCHEMBL2898715 0.71 NPSR1 (0.48) KCNH2GRM2RAB9ATP53ALDH1A1
SCHEMBL2898773 0.71 TSHR (0.46) KCNH2GRM2RAB9ATP53ALDH1A1
SCHEMBL3985740 0.70 MEN1 (0.43) MEN1KMT2AKCNH2GRM2RAB9A

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-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US claimed
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 EP claimed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US claimed
EP-1725102-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005092099-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-10-06 WO claimed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 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-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP MEN1 4641/4885KMT2A 1314/4885EGLN1 2895/4885

“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.