SCHEMBL299361

SCHEMBL299361

C#CCN1CCN(C(C)=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.41
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
DRD3 P35462 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
KDM1A O60341 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL16116415 0.81 BCHE (0.41) BCHE
SCHEMBL739637 0.81 PIK3CD (0.53) PIK3CDCYP1A2TDP1HRH3SMN1; SMN2
SCHEMBL138635 0.81 BCHE (0.41) BCHE
SCHEMBL928074 0.80 CYP2D6 (0.42) CYP1A2SMN1; SMN2BCHEALDH1A1L3MBTL1
SCHEMBL5633729 0.79 PIK3CD (0.52) PIK3CDCYP1A2TDP1HRH3SMN1; SMN2
SCHEMBL5553304 0.79 MAOB (0.40) BCHEALDH1A1KDM4E
SCHEMBL926164 0.79 TSHR (0.55) TDP1SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL5548847 0.79 POLB (0.59) BCHEKDM4EKMT2A
SCHEMBL14979200 0.78 PIK3CD (0.50) PIK3CDCYP1A2TDP1HRH3SMN1; SMN2
SCHEMBL24247404 0.76 LMNA (0.40) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474420-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2012-03-14 EP claimed
EP-1838712-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-03-09 EP claimed
US-20250368633-A1 AZEPINE FUSED RING COMPOUND AS RIPK1 INHIBITOR AND USE THEREOF ARTIVILA BIOPHARMA (CN) 2025-12-04 US disclosed
EP-4598903-A1 PROCESS FOR THE FLUORINATION AND/OR CYCLIZATION OF AN AMINO ALKENE OR ALKYNE IN A CONTINUOUS STREAM AND FACILITY FOR PERFORMING THE PROCESS Université de Poitiers (FR) 2025-08-13 EP disclosed
CN-120035579-A Process for fluorinating and/or cyclizing an amino alkene or alkyne in a continuous flow and apparatus for carrying out the process 普瓦捷大学 2025-05-23 CN disclosed
WO-2024074501-A1 PROCESS FOR THE FLUORINATION AND/OR CYCLIZATION OF AN AMINO ALKENE OR ALKYNE IN A CONTINUOUS STREAM AND FACILITY FOR PERFORMING THE PROCESS UNIVERSITE DE POITIERS (FR) 2024-04-11 WO disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
WO-2016021562-A1 CYANOTHIOPHENE DERIVATIVE キッセイ薬品工業株式会社 2016-02-11 WO disclosed
EP-1778712-B1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY Univ Virginia Patent Found (US) 2013-01-30 EP disclosed
US-8158604-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-04-17 US disclosed
US-8158604-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-04-17 US disclosed
US-20060040888-A1 2-propynyl adenosine analogs with modifed 5'-ribose groups having A2A agonist activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-23 US disclosed
WO-2005105735-A1 PHENOXYACETIC ACID DERIVATIVES AS PPAR AGONISTS NOVO NORDISK A/S (DK) 2005-11-10 WO disclosed
EP-1434782-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF University of Virginia Patent Foundation (US) 2004-07-07 EP disclosed
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-02 US disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
WO-2003029264-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-04-10 WO disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 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 (6 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 PIK3CD 1962/4885CYP1A2 766/4885TDP1 1225/4885
US-20250368633-A1 AZEPINE FUSED RING COMPOUND AS RIPK1 INHIBITOR AND USE THEREOF RIPK1, RIPK2, RIPK4 PIK3CD 490/4885CYP1A2 3387/4885TDP1 1665/4885
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO PIK3CD 3453/4885CYP1A2 883/4885TDP1 2607/4885
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof ADORA2A, ADORA1, ADORA3 PIK3CD 1176/4885CYP1A2 489/4885TDP1 1468/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 PIK3CD 1962/4885CYP1A2 766/4885TDP1 1225/4885
US-20060040888-A1 2-propynyl adenosine analogs with modifed 5'-ribose groups having A2A agonist activity ADORA2A, ADORA3, ADORA1 PIK3CD 2561/4885CYP1A2 1387/4885TDP1 1178/4885

“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.