SCHEMBL2805947

SCHEMBL2805947

Cc1cc2c(cc1Br)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.61
NR1H2 P55055 1/20 0.60
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.43
MAPT P10636 2/20 0.42
ABHD6 Q9BV23 2/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MAP3K5 Q99683 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
ADORA1 P30542 1/20 0.39
IGF1R P08069 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL31597683 1.00 ESR2 (0.61) ESR2NR1H2LMNAMAPK1L3MBTL1
SCHEMBL31054069 0.90 ESR2 (0.68) ESR2NR1H2LMNAMAPK1HDAC1
SCHEMBL4183582 0.87 NR1H2 (0.67) ESR2NR1H2LMNAMAPK1HDAC1
SCHEMBL18875035 0.87 NR1H2 (0.67) ESR2NR1H2LMNAMAPK1HDAC1
SCHEMBL29557668 0.86 NR1H2 (0.65) ESR2NR1H2LMNAMAPK1HDAC1
SCHEMBL31173498 0.86 ESR2 (0.63) ESR2NR1H2LMNAMAPK1HDAC1
SCHEMBL29391429 0.86 ESR2 (0.60) ESR2NR1H2LMNAMAPK1HDAC1
SCHEMBL20330433 0.86 ESR2 (0.60) ESR2NR1H2LMNAMAPK1HDAC1
SCHEMBL30935164 0.86 ESR2 (0.60) ESR2NR1H2LMNAMAPK1HDAC1
SCHEMBL2804359 0.86 ESR2 (0.60) ESR2NR1H2LMNAMAPK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 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 (2 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 ESR2 1342/4885NR1H2 474/4885LMNA 4752/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 ESR2 683/4885NR1H2 511/4885LMNA 4814/4885

“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.