SCHEMBL15723732

SCHEMBL15723732

CC(C)n1cnc2c1CCCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2B P29275 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
PDE2A O00408 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL24817958 0.74 CDK4 (0.35) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22650902 0.74 SIGMAR1 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL20793348 0.74 HRH3 (0.33) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11851419 0.74 PDE2A (0.30) PDE3BPDE3APDE2A
SCHEMBL2402912 0.72 DRD4 (0.41) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL17338953 0.72 ADORA2A (0.32) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL20536189 0.72 MEN1 (0.43) PDE3BPDE3AADORA2APDE2ACCNE1
SCHEMBL22604338 0.71 DRD4 (0.40) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL13415333 0.71 DRD4 (0.40) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL21670417 0.71 CYP11B2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 EP disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
WO-2022122037-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2022-06-16 WO disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10391082-B2 Protein kinase inhibitors ORION CORPORATION (FI) 2019-08-27 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
WO-2017106568-A1 COMBINATION OF A JAK INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20160346254-A1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2016-12-01 US disclosed
US-9447091-B2 Protein kinase inhibitors ORION CORPORATION (FI) 2016-09-20 US disclosed
US-20160031855-A1 PROTEIN KINASE INHIBITORS ORION CORPORATION (FI) 2016-02-04 US disclosed
US-20150011548-A1 PROTEIN KINASE INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2015-01-08 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (9 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-20150011548-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR3, FGFR4 PDE3B 1827/4885PDE3A 2505/4885ADORA2A 4345/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN PDE3B 1282/4885PDE3A 1527/4885ADORA2A 4127/4885
US-20160346254-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR3, FGFR4 PDE3B 1827/4885PDE3A 2505/4885ADORA2A 4345/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PDE3B 1282/4885PDE3A 1527/4885ADORA2A 4127/4885
US-20160031855-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR2, FGFR3 PDE3B 2645/4885PDE3A 2682/4885ADORA2A 3300/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PDE3B 1282/4885PDE3A 1527/4885ADORA2A 4127/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PDE3B 1282/4885PDE3A 1527/4885ADORA2A 4127/4885
US-10391082-B2 Protein kinase inhibitors FGFR1, FGFR3, FGFR4 PDE3B 1897/4885PDE3A 2551/4885ADORA2A 4349/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PDE3B 1282/4885PDE3A 1527/4885ADORA2A 4127/4885

“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.