SCHEMBL18312809

SCHEMBL18312809

C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cc(F)cc4F)c3n2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.43
FLT4 P35916 1/20 0.43
GSK3B P49841 1/20 0.43
RARB P10826 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 6/20 0.42
LMNA P02545 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
POLB P06746 2/20 0.42
XBP1 P17861 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 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
SCHEMBL22591750 1.00 EPHA2 (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL18313012 0.88 KDM4E (0.41) KMT2AKDM4ELMNAALDH1A1HPGD
SCHEMBL22331617 0.88 KDM4E (0.41) KMT2AKDM4ELMNAALDH1A1HPGD
SCHEMBL19783916 0.87 EPHA2 (0.45) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL19783918 0.87 EPHA2 (0.45) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL22331691 0.85 IMPDH2 (0.33) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL20531968 0.85 IMPDH2 (0.33) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL18306018 0.84 KMT2A (0.42) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL18312990 0.83 SLC22A2 (0.34) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL22591921 0.83 ALDH1A1 (0.32) EPHA2FLT4GSK3BRARBTBXAS1

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
CN-107949562-B Positive allosteric modulators of muscarinic M2 receptors 拜耳制药股份公司 2021-07-23 CN disclosed
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 EP disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 EP disclosed
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-08 US disclosed
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-08 US disclosed
US-20180297994-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-18 US disclosed
WO-2016198342-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 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-20180297994-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR CHRM2, CHRM1, CHRM3 EPHA2 1876/4885FLT4 1955/4885GSK3B 3525/4885
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 EPHA2 1876/4885FLT4 1955/4885GSK3B 3525/4885

“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.