SCHEMBL4409544

SCHEMBL4409544

Cc1c(I)ccc2c1CC(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.38
CDK1 P06493 4/20 0.38
CCNB1 P14635 4/20 0.38
GSK3B P49841 4/20 0.38
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
CCNB3 Q8WWL7 4/20 0.38
GRIA1 P42261 2/20 0.37
CACNG8 Q8WXS5 2/20 0.37
AHR P35869 3/20 0.37
PDK2 Q15119 1/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL5366153 0.81 GRIA1 (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL3524460 0.78 AHR (0.41) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL5366860 0.78 GRIA1 (0.41) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL18210028 0.78 SRC (0.41) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL687996 0.78 DRD2 (0.46) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL12335925 0.78 HTR1D (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL18289479 0.77 AHR (0.50) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2472436 0.75 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL9835372 0.74 P2RX7 (0.40) GRIA1CACNG8AHRPDK2DRD2
SCHEMBL5368729 0.74 DRD2 (0.40) CCNB2CDK1CCNB1GSK3BCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168648-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2024-12-17 US disclosed
US-20240092746-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. 2024-03-21 US disclosed
EP-4320105-A1 OPIOID RECEPTOR MODULATORS Epiodyne, Inc. (US) 2024-02-14 EP disclosed
CN-117425644-A Opioid receptor modulators 埃皮欧黛公司 2024-01-19 CN disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 US disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 US disclosed
US-20220356157-A1 OPIOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-10 US disclosed
WO-2022216750-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. (US) 2022-10-13 WO disclosed
EP-2020408-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors Sugen, Inc. (US) 2009-02-04 EP disclosed
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20010056094-A1 Anticarcinogenic agents TANG PENG CHO (US) 2001-12-27 US disclosed
US-6316429-B1 ENZYME INHIBITORS MODULATE THE ACTIVITY OF PROTEIN KINASES AND THEREFORE ARE EXPECTED TO BE USEFUL IN THE PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER. SUGEN, INC. 2001-11-13 US disclosed
US-6313158-B1 THERAPY AND PROPHYLAXIS OF CANCER SUGEN, INC. 2001-11-06 US disclosed
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 WO disclosed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed
US-6051593-A USEFUL IN THE PREVENTION AND TREATMENT OF PROTEIN TYROSINE KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-04-18 US disclosed
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 WO 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-20240092746-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 CCNB2 4720/4885CDK1 3614/4885CCNB1 4691/4885
US-12168648-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 CCNB2 4720/4885CDK1 3614/4885CCNB1 4691/4885
US-20010056094-A1 Anticarcinogenic agents GSTK1, CDC42BPG, GLS CCNB2 1246/4885CDK1 361/4885CCNB1 897/4885
US-11634396-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 CCNB2 4720/4885CDK1 3614/4885CCNB1 4691/4885
US-20220356157-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 CCNB2 4720/4885CDK1 3614/4885CCNB1 4691/4885

“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.