SCHEMBL1386722

SCHEMBL1386722

COc1ccccc1Cn1nc(C)c2c(c(O)c3n2CCN(C)C3=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PKM P14618 1/20 0.44
ADORA2A P29274 3/20 0.41
MAOB P27338 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.38
BCHE P06276 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPBWR1 P48145 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TOP2A P11388 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
SCHEMBL3986669 0.89 TSHR (0.38) MEN1KMT2APKMADORA2AKDM4E
SCHEMBL16253846 0.89 MEN1 (0.41) MEN1KMT2APKMADORA2AMAOB
SCHEMBL3985461 0.85 PDE5A (0.39) MEN1KMT2AGAAMAPT
SCHEMBL3986391 0.85 NPBWR1 (0.37) KMT2ANPBWR1
SCHEMBL3988165 0.84 SLC22A12 (0.41) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL3991515 0.84 PKM (0.38) MEN1KMT2APKMMAOB
SCHEMBL3985526 0.82 PKM (0.38) PKMALDH1A1
SCHEMBL3983532 0.81 PKM (0.44) KMT2APKMKDM4EGAAMAPT
SCHEMBL3985863 0.81 PKM (0.35) MEN1KMT2APKMGAAMAPT
SCHEMBL3985480 0.81 PKM (0.36) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4824673-B2 2011-11-30 JP 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-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP claimed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 WO 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-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 1226/4885PKM 1268/4885

“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.