SCHEMBL29398024

SCHEMBL29398024

COC(=O)c1ccc(Br)cc1Oc1cnc2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.49
BCL2L1 Q07817 3/20 0.49
CDK8 P49336 6/20 0.46
CHEK1 O14757 1/20 0.45
KDR P35968 3/20 0.41
TNIK Q9UKE5 2/20 0.41
NR4A2 P43354 1/20 0.41
ABL1 P00519 1/20 0.40
ALK Q9UM73 1/20 0.39
FGFR1 P11362 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL19341716 1.00 BCL2 (0.49) BCL2BCL2L1CDK8CHEK1KDR
SCHEMBL16030568 0.89 BCL2 (0.57) BCL2BCL2L1CDK8CHEK1KDR
SCHEMBL19332922 0.88 CDK8 (0.43) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL29403244 0.87 RIPK1 (0.45) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL20578175 0.86 BCL2 (0.49) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL523456 0.86 CDK8 (0.49) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL31427495 0.86 CDK8 (0.49) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL24165693 0.86 BCL2 (0.48) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL19867779 0.85 BCL2 (0.48) BCL2BCL2L1CDK8KDRTNIK
SCHEMBL19867929 0.85 CDK8 (0.52) BCL2BCL2L1CDK8KDRTNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496239-A Synthesis method of key intermediate and bulk drug of vitamin Nadotox 南京哈柏医药科技有限公司 2023-07-28 CN disclosed
CN-116496239-A Synthesis method of key intermediate and bulk drug of vitamin Nadotox 南京哈柏医药科技有限公司 2023-07-28 CN disclosed
EP-4199924-A1 COMPOSITIONS AND METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS Ascentage Pharma (Suzhou) Co., Ltd. (CN) 2023-06-28 EP disclosed
US-20230119463-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. 2023-04-20 US disclosed
CN-114073703-B Compositions and methods for treating nonalcoholic steatohepatitis 苏州亚盛药业有限公司 2022-12-30 CN disclosed
CN-110483501-B N- (phenylsulfonyl) benzamides and related compounds as BCL-2 inhibitors 密歇根大学董事会 2022-07-01 CN 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
US-20220073513-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL, INC. 2022-03-10 US disclosed
WO-2022037683-A1 COMPOSITIONS AND METHODS FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-02-24 WO disclosed
WO-2022037684-A1 COMPOSITIONS AND METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-02-24 WO disclosed
CN-114073703-A Compositions and methods for treating nonalcoholic steatohepatitis 苏州亚盛药业有限公司 2022-02-22 CN disclosed
CN-114073707-A Compositions and methods for treating systemic lupus erythematosus 苏州亚盛药业有限公司 2022-02-22 CN 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-20220073513-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES BCL2, BCL2A1, BCL3 BCL2 1/4885BCL2L1 4/4885CDK8 766/4885
US-20230119463-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES BCL2, BAK1, BCL2A1 BCL2 1/4885BCL2L1 4/4885CDK8 485/4885

“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.