SCHEMBL23165491

SCHEMBL23165491

NC(=O)c1ccccc1N1c2cc3cc[nH]c3nc2O[C@@H]2COC[C@H]21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ IKBKB O14920 3/20 0.32
▸ CHUK O15111 2/20 0.32
▸ RIPK1 Q13546 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL23578829 1.00 PDPK1 (0.33) PDPK1ALOX5APFEN1NUDT1NPC1
SCHEMBL23579340 0.93 GRM5 (0.33) PDPK1ALOX5APFEN1NUDT1NPC1
SCHEMBL25284683 0.93 GRM5 (0.33) PDPK1ALOX5APFEN1NUDT1NPC1
SCHEMBL23579290 0.93 GRM5 (0.33) PDPK1ALOX5APFEN1NUDT1NPC1
SCHEMBL29747346 0.92 JAK2 (0.35) PDPK1ALOX5APFEN1NUDT1NPC1
SCHEMBL23579445 0.85 OPRM1 (0.33) PDPK1ALOX5APFEN1NUDT1NPC1
SCHEMBL23165655 0.85 OPRM1 (0.33) PDPK1ALOX5APFEN1NUDT1NPC1
SCHEMBL23579454 0.85 OPRM1 (0.33) PDPK1ALOX5APFEN1NUDT1NPC1
SCHEMBL23578855 0.79 ALOX5AP (0.34) PDPK1ALOX5APFEN1NUDT1
SCHEMBL23579437 0.79 ALOX5AP (0.34) PDPK1ALOX5APFEN1NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. 2024-05-23 — — US disclosed
WO-2022140224-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. (US) 2022-06-30 — — WO disclosed
WO-2021133817-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2021-07-01 — — WO disclosed
WO-2021066873-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2021-04-08 — — 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-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES BCL2, BCL3, BCL2L1 PDPK1 223/4885ALOX5AP 1028/4885FEN1 638/4885

“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.

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