SCHEMBL105008

SCHEMBL105008

CC(C)CCC1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.47
DAO P14920 1/20 0.33
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PDE4D Q08499 1/20 0.30
GBA1 P04062 2/20 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
SCHEMBL16997066 0.86 PIK3CD (0.39) PIK3CDPDE4D
SCHEMBL18860301 0.86 PIK3CD (0.44) PIK3CDDAO
SCHEMBL766688 0.86 PIK3CD (0.39) PIK3CDPDE4D
SCHEMBL23265408 0.85 PIK3CD (0.42) PIK3CDDAO
SCHEMBL30837730 0.82 PIK3CD (0.35) PIK3CDDAO
SCHEMBL2201094 0.82 PIK3CD (0.35) PIK3CDDAO
SCHEMBL22458613 0.82 PIK3CD (0.35) PIK3CDDAO
SCHEMBL1678779 0.82
SCHEMBL19939298 0.80 PIK3CD (0.34) PIK3CDDAOPDE4D
SCHEMBL19231429 0.80 PIK3CD (0.39) PIK3CD

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024086814-A2 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2024-04-25 WO disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds AFASCI, INC. (US) 2023-09-05 US disclosed
US-11718613-B2 N-(phenylsulfonyl)benzamides and related compounds as Bcl-2 inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-08-08 US disclosed
WO-2023108103-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
WO-2023108108-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
US-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 US disclosed
US-8518934-B2 Oxycarbamoyl compounds and the use thereof SHONOGI & CO., LTD. (JP) 2013-08-27 US disclosed
US-20130102586-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2013-04-25 US disclosed
US-20120190688-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BRUNCKO MILAN (US) 2012-07-26 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-26 US disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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 (11 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 PIK3CD 2563/4885DAO 3606/4885KDM1A 3304/4885
US-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds TRPV1, TRPA1, TRPV2 PIK3CD 2392/4885DAO 1653/4885KDM1A 3640/4885
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF CACNA1B, ORAI1, CACNA1I PIK3CD 2783/4885DAO 1078/4885KDM1A 2004/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PIK3CD 512/4885DAO 2629/4885KDM1A 2074/4885
US-11718613-B2 N-(phenylsulfonyl)benzamides and related compounds as Bcl-2 inhibitors BCL2A1, BCL3, BCL2 PIK3CD 4257/4885DAO 4192/4885KDM1A 787/4885
US-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 PIK3CD 1225/4885DAO 1208/4885KDM1A 1414/4885
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 PIK3CD 3397/4885DAO 482/4885KDM1A 1250/4885
US-20120190688-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 PIK3CD 2110/4885DAO 3726/4885KDM1A 4155/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 PIK3CD 2110/4885DAO 3726/4885KDM1A 4155/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP PIK3CD 1645/4885DAO 1329/4885KDM1A 691/4885
US-20130102586-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 PIK3CD 298/4885DAO 2148/4885KDM1A 1916/4885

“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.