SCHEMBL24444166

SCHEMBL24444166

CN(CCOc1cnccc1CN)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
GPR119 Q8TDV5 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
F2 P00734 4/20 0.35
BTK Q06187 2/20 0.34
AOC1 P19801 4/20 0.33
AOC3 Q16853 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL29399289 1.00 PDK2 (0.39) PDK2GPR119AAK1F2BTK
SCHEMBL25810945 0.90 BTK (0.35) PDK2GPR119BTKAOC1AOC3
SCHEMBL22366747 0.84 AOC1 (0.37) BTKAOC1AOC3KDM4EALDH1A1
SCHEMBL30743465 0.83 SSTR4 (0.42) PDK2GPR119AAK1F2BTK
SCHEMBL30743498 0.82 PDK2 (0.40) PDK2GPR119AAK1F2BTK
SCHEMBL29398613 0.81 PDK2 (0.41) PDK2GPR119
SCHEMBL17962481 0.78 CHRNB2 (0.50) AOC1AOC3
SCHEMBL29784871 0.78 CHRNB2 (0.50) AOC1AOC3
SCHEMBL29784870 0.78 CHRNB2 (0.50) AOC1AOC3
SCHEMBL22551824 0.78 PDK2 (0.42) PDK2AAK1F2KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339157-B1 4H-pyrrolo[3,2-c]pyridin-4-one derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-05-24 US disclosed
WO-2022033416-A1 FUSED RING COMPOUND AS EGFR INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 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 (1 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-11339157-B1 4H-pyrrolo[3,2-c]pyridin-4-one derivatives CYP4B1, CYP2C19, CYP3A4 PDK2 78/4885GPR119 1948/4885AAK1 4252/4885

“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.