Sugi Predict

Sugi Predict / Compounds / SCHEMBL18313617

SCHEMBL18313617

SCHEMBL18313617

O=C(N[C@H](C1CC1)C(F)(F)F)c1cn(-c2c(F)cc(F)cc2Cl)c2nc(Cl)ccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.36
▸ ULK1 O75385 2/20 0.35
▸ ULK2 Q8IYT8 2/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ SLC22A2 O15244 2/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ JAK2 O60674 3/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ EPHA2 P29317 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ TBXAS1 P24557 1/20 0.31
▸ SLC6A3 Q01959 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
SCHEMBL18313598 1.00 P2RX7 (0.36) P2RX7ULK1ULK2MKNK2STK17A
SCHEMBL20531898 1.00 P2RX7 (0.36) P2RX7ULK1ULK2MKNK2STK17A
SCHEMBL18313005 0.96 ULK1 (0.36) P2RX7ULK1ULK2MKNK2STK17A
SCHEMBL20531942 0.96 P2RX7 (0.37) P2RX7ULK1ULK2MKNK2STK17A
SCHEMBL18313424 0.96 ULK1 (0.36) P2RX7ULK1ULK2MKNK2STK17A
SCHEMBL18313197 0.96 P2RX7 (0.37) P2RX7ULK1ULK2MKNK2STK17A
SCHEMBL19987097 0.96 ULK1 (0.36) P2RX7ULK1ULK2MKNK2STK17A
SCHEMBL18306016 0.89 ULK1 (0.32) P2RX7ULK1ULK2MKNK2STK17A
SCHEMBL19986881 0.89 P2RX7 (0.34) P2RX7ULK1ULK2MKNK2STK17A
SCHEMBL19971463 0.89 P2RX7 (0.34) P2RX7ULK1ULK2MKNK2STK17A

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 P2RX7 301/4885ULK1 1321/4885ULK2 1225/4885
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 P2RX7 301/4885ULK1 1321/4885ULK2 1225/4885

“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.