SCHEMBL18312907

SCHEMBL18312907

CCOC(=O)c1cn(-c2ccc(F)cc2Cl)c2nc(Cl)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
GABRA2 P47869 7/20 0.43
GABRB2 P47870 7/20 0.43
ROCK2 O75116 1/20 0.43
CDK1 P06493 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3A P49840 1/20 0.43
CDK5 Q00535 1/20 0.43
PRKCD Q05655 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
MARK2 Q7KZI7 1/20 0.43
LMNA P02545 2/20 0.42
PIM1 P11309 1/20 0.42
IRAK1 P51617 1/20 0.42

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
SCHEMBL7579922 0.92 MAPT (0.51) MAPTTHRBALDH1A1TSHRROCK2
SCHEMBL18313292 0.89 ALDH1A1 (0.47) MAPTTHRBALDH1A1TSHRROCK2
SCHEMBL18313673 0.89 MAPT (0.44) MAPTTHRBALDH1A1TSHRGABRA2
SCHEMBL7007886 0.87 MAPT (0.44) MAPTTHRBALDH1A1TSHRGABRA2
SCHEMBL18306089 0.87 THRB (0.39) MAPTTHRBALDH1A1TSHRGABRA2
SCHEMBL18313615 0.86 MAPT (0.43) MAPTTHRBALDH1A1TSHRLMNA
SCHEMBL18312911 0.85 TDP1 (0.47) MAPTALDH1A1TSHRGABRA2GABRB2
SCHEMBL19784159 0.85 ALDH1A1 (0.42) MAPTTHRBALDH1A1TSHRROCK2
SCHEMBL18313042 0.85 MAPT (0.45) MAPTTHRBALDH1A1TSHRROCK2
SCHEMBL18312882 0.84 ALDH1A1 (0.50) MAPTALDH1A1TSHRLMNAPIM1

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
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-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 MAPT 4084/4885THRB 46/4885ALDH1A1 4456/4885
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 MAPT 4084/4885THRB 46/4885ALDH1A1 4456/4885

“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.