SCHEMBL18239676

SCHEMBL18239676

CC1(C)OB(c2cnc3[nH]cnc3c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PDGFRB P09619 3/20 0.36
KDR P35968 3/20 0.36
ALPL P05186 1/20 0.35
DGAT1 O75907 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
LPL P06858 6/20 0.33
LIPG Q9Y5X9 6/20 0.33
FFAR1 O14842 1/20 0.33
EGFR P00533 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL25431172 0.78 GSK3A (0.42) GSK3AGSK3BPDGFRBKDRALPL
SCHEMBL18125390 0.76 GSK3A (0.38) GSK3AGSK3BPDGFRBKDRALPL
SCHEMBL2379179 0.75 LPL (0.40) LPLLIPGEGFRCA1CA2
SCHEMBL30082544 0.74 CDK8 (0.43) GSK3AGSK3BPDGFRBKDRALPL
SCHEMBL10565 0.74 CDK8 (0.43) GSK3AGSK3BPDGFRBKDRALPL
SCHEMBL1585585 0.73 GSK3A (0.45) GSK3AGSK3BPDGFRBKDRALPL
SCHEMBL1502630 0.73 GSK3A (0.47) GSK3AGSK3BPDGFRBKDRALPL
SCHEMBL20658679 0.73 EGFR (0.34) LPLLIPGEGFR
SCHEMBL29380963 0.73 GSK3A (0.43) GSK3AGSK3BPDGFRBKDRALPL
SCHEMBL2966812 0.73 GSK3A (0.43) GSK3AGSK3BPDGFRBKDRALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286435-B2 Compound having benzo seven-membered ring structure, preparation method therefor, and use thereof BIONNA (BEIJING) MEDICAL TECHNOLOGY CO., LTD. (CN) 2025-04-29 US disclosed
US-20240116948-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-04-11 US disclosed
EP-3919479-B1 COMPOUND HAVING BENZO SEVEN-MEMBERED RING STRUCTURE, PREPARATION METHOD THEREFOR, AND USE THEREOF BIONNA BEIJING MEDICAL TECH CO LTD (CN) 2024-03-20 EP disclosed
EP-4267584-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-11-01 EP disclosed
WO-2022136221-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-30 WO disclosed
US-20210380592-A1 COMPOUND HAVING BENZO SEVEN-MEMBERED RING STRUCTURE, PREPARATION METHOD THEREFOR, AND USE THEREOF BIONNA (BEIJING) MEDICAL TECHNOLOGY CO., LTD. (CN) 2021-12-09 US disclosed
EP-3919479-A1 COMPOUND HAVING BENZO SEVEN-MEMBERED RING STRUCTURE, PREPARATION METHOD THEREFOR, AND USE THEREOF Bionna (Beijing) Medical Technology Co., Ltd. (CN) 2021-12-08 EP disclosed
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 US 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 (5 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-20240116948-A1 PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS TGFBR1, ACVR1, TGFBR2 GSK3A 208/4885GSK3B 123/4885PDGFRB 14/4885
US-12286435-B2 Compound having benzo seven-membered ring structure, preparation method therefor, and use thereof BRD4, BRD7, BICRA GSK3A 1958/4885GSK3B 1387/4885PDGFRB 3425/4885
US-20210380592-A1 COMPOUND HAVING BENZO SEVEN-MEMBERED RING STRUCTURE, PREPARATION METHOD THEREFOR, AND USE THEREOF BRD4, BRD7, BICRA GSK3A 1958/4885GSK3B 1387/4885PDGFRB 3425/4885
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors PDK1, PDK2, PDK3 GSK3A 630/4885GSK3B 636/4885PDGFRB 2511/4885
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 GSK3A 630/4885GSK3B 636/4885PDGFRB 2511/4885

“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.