Sugi Predict

Sugi Predict / Compounds / SCHEMBL18312993

SCHEMBL18312993

SCHEMBL18312993

O=C(N[C@@H](C1CC1)C(F)(F)F)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCNC3=O)ccc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 2/20 0.34
▸ ULK2 Q8IYT8 2/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.34
▸ SLC22A2 O15244 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ JAK2 O60674 6/20 0.32
▸ JAK3 P52333 6/20 0.32
▸ KCNH2 Q12809 4/20 0.32
▸ CMA1 P23946 4/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ CRHR1 P34998 2/20 0.32
▸ JAK1 P23458 1/20 0.31
▸ PDE4A P27815 1/20 0.31

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
SCHEMBL18312929 1.00 ULK1 (0.34) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL20531790 1.00 ULK1 (0.34) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL20532054 0.96 SLC22A2 (0.33) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL18313118 0.96 SLC22A2 (0.33) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL18313066 0.94 P2RX7 (0.34) ULK1ULK2MKNK2STK17AKMT2A
SCHEMBL20531961 0.94 P2RX7 (0.34) ULK1ULK2MKNK2STK17AKMT2A
SCHEMBL18313288 0.94 P2RX7 (0.34) ULK1ULK2MKNK2STK17AKMT2A
SCHEMBL20531808 0.93 CRHR1 (0.35) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL18313276 0.93 CRHR1 (0.35) ULK1ULK2MKNK2STK17ASLC22A2
SCHEMBL20531976 0.89 TDO2 (0.34) SLC22A2KMT2AKCNH2CMA1TDO2

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 ULK1 1321/4885ULK2 1225/4885MKNK2 762/4885
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 ULK1 1321/4885ULK2 1225/4885MKNK2 762/4885

“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.