SCHEMBL9869886

SCHEMBL9869886

CCNCCC1CCCN1C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.47
RAD52 P43351 1/20 0.40
SLC2A1 P11166 2/20 0.38
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
SCHEMBL18236729 0.94 CYP1A2 (0.55) ALDH1A1CYP1A2RAD52SLC2A1ADRA2A
SCHEMBL10241565 0.89 ALDH1A1 (0.46) ALDH1A1CYP1A2RAD52SLC2A1
SCHEMBL23844656 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2
SCHEMBL31530916 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2
SCHEMBL14354979 0.80 ALDH1A1 (0.49) ALDH1A1CYP1A2RAD52SLC2A1ADRA2A
SCHEMBL13202528 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2RAD52SLC2A1
SCHEMBL21430668 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2RAD52SLC2A1ADRA2A
SCHEMBL10229134 0.80 CYP1A2 (0.41) ALDH1A1CYP1A2
SCHEMBL13202524 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2RAD52SLC2A1
SCHEMBL18539297 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2RAD52SLC2A1ADRA2A

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
WO-2021219091-A2 QUINOXALINONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN 北京泰德制药股份有限公司 (CN) 2021-11-04 WO disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 US disclosed
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-7288571-B2 Thyroid receptor ligands and method II KARO BIO AB (SE) 2007-10-30 US disclosed
US-5002943-A Antispasmodic Agents, Bradycardia Treatment MIHM GERHARD (DE) 1991-03-26 US disclosed
EP-0346745-A1 Condensed diazepinones, processes for their preparation and pharmaceutical preparations containing them Dr. Karl Thomae GmbH (DE) 1989-12-20 EP 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 (4 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 ALDH1A1 2896/4885CYP1A2 4845/4885RAD52 4026/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ALDH1A1 2896/4885CYP1A2 4845/4885RAD52 4026/4885
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 ALDH1A1 2373/4885CYP1A2 1290/4885RAD52 1643/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 ALDH1A1 2373/4885CYP1A2 1290/4885RAD52 1643/4885

“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.