SCHEMBL935915

SCHEMBL935915

COc1cc(Br)c(NC(=O)C(C)(C)C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
KDM4E B2RXH2 5/20 0.46
LMNA P02545 3/20 0.46
ALOX12 P18054 1/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
CETP P11597 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX7 Q99572 2/20 0.41

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
SCHEMBL23885407 0.85 CYP1A2 (0.56) LCKFYNKDM4ELMNAPDK1
SCHEMBL30254696 0.85 CYP1A2 (0.56) LCKFYNKDM4ELMNAPDK1
SCHEMBL28991022 0.83 ALDH1A1 (0.48) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL10769731 0.80 KDM4E (0.48) KDM4ELMNAALOX12ALDH1A1HPGD
SCHEMBL30254957 0.78 CYP1A2 (0.51) LCKFYNKDM4ELMNAPDK1
SCHEMBL23885028 0.78 CYP1A2 (0.51) LCKFYNKDM4ELMNAPDK1
SCHEMBL30076369 0.78 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31630583 0.78 LPAR1 (0.53) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL1234368 0.78 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6336176 0.77 L3MBTL1 (0.44) KDM4ELMNAPDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
EP-2456440-A1 QUINOLINONE PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-05-30 EP disclosed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2011011312-A1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-01-27 WO 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-20120115885-A1 Quinolinone PDE2 Inhibitors PDE12, PDE2A, PDE4A LCK 3532/4885FYN 2004/4885KDM4E 2952/4885

“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.