SCHEMBL1077949

SCHEMBL1077949

COc1ccc(-n2c(-c3c(C)noc3C)c(N)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.46
ROCK1 Q13464 1/20 0.46
BRD4 O60885 5/20 0.42
ALDH1A1 P00352 6/20 0.41
USP2 O75604 5/20 0.41
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP1 P29466 1/20 0.39
PTGS2 P35354 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13668019 0.87 RPS6KB1 (0.43) RPS6KB1ROCK1ALDH1A1CYP1A2CYP3A4
SCHEMBL1075850 0.86 BRD4 (0.42) RPS6KB1ROCK1BRD4ALDH1A1USP2
SCHEMBL12387085 0.86 BRD4 (0.42) RPS6KB1ROCK1BRD4ALDH1A1USP2
SCHEMBL13667779 0.86 BRD4 (0.42) RPS6KB1ROCK1BRD4ALDH1A1USP2
SCHEMBL1074368 0.86 BRD4 (0.53) RPS6KB1ROCK1BRD4ALDH1A1USP2
SCHEMBL1077056 0.86 ESR1 (0.42) BRD4ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL1077366 0.85 LMNA (0.43) RPS6KB1ROCK1BRD4ALDH1A1USP2
SCHEMBL12387090 0.84 MAPT (0.42) RPS6KB1ROCK1BRD4ALDH1A1USP2
SCHEMBL12387059 0.84 BRD4 (0.40) RPS6KB1ROCK1BRD4ALDH1A1USP2
SCHEMBL1077121 0.84 CREBBP (0.41) RPS6KB1ROCK1BRD4ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP disclosed
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
CN-102066323-A Novel estrogen receptor ligands KAROBIO AB 2011-05-18 CN disclosed
EP-2276732-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-01-26 EP disclosed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-22 WO disclosed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-22 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-20130131061-A1 Novel Estrogen Receptor Ligands ESR1, GPER1, ESRRA RPS6KB1 2767/4885ROCK1 1914/4885BRD4 713/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA RPS6KB1 2905/4885ROCK1 1902/4885BRD4 628/4885

“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.