SCHEMBL20532007

SCHEMBL20532007

CCC(NC(=O)c1cn(-c2c(F)cccc2F)c2nc(Cl)ccc2c1=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
PDE4A P27815 3/20 0.36
KCNH2 Q12809 3/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
IDH1 O75874 2/20 0.35
IDH2 P48735 2/20 0.35
CCR1 P32246 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL18313399 1.00 KMT2A (0.40) KMT2APDE4AKCNH2MEN1LMNA
SCHEMBL21440521 1.00 KMT2A (0.40) KMT2APDE4AKCNH2MEN1LMNA
SCHEMBL20531719 0.96 KMT2A (0.39) KMT2APDE4AKCNH2MEN1LMNA
SCHEMBL18313036 0.96 KMT2A (0.39) KMT2APDE4AKCNH2MEN1LMNA
SCHEMBL18313331 0.96 KMT2A (0.39) KMT2APDE4AKCNH2MEN1LMNA
SCHEMBL20531809 0.92 KMT2A (0.36) KMT2APDE4AKCNH2MEN1LMNA
SCHEMBL19784172 0.92 KMT2A (0.36) KMT2APDE4AKCNH2MEN1LMNA
SCHEMBL21220088 0.92 KMT2A (0.36) KMT2APDE4AKCNH2MEN1LMNA
SCHEMBL18312736 0.92 KMT2A (0.36) KMT2APDE4AKCNH2MEN1LMNA
SCHEMBL18312806 0.92 KMT2A (0.36) KMT2APDE4AKCNH2MEN1LMNA

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
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

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 KMT2A 1318/4885PDE4A 246/4885KCNH2 588/4885
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 KMT2A 1318/4885PDE4A 246/4885KCNH2 588/4885

“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.