SCHEMBL961368

SCHEMBL961368

c1cnc2[nH]c3c(c2c1)CNCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
PARP1 P09874 3/20 0.54
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
NISCH Q9Y2I1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR5A P47898 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
AURKA O14965 1/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL30339480 0.89 HTR2A (0.56) TAAR1PARP1HTR2AHTR2CNISCH
SCHEMBL24101668 0.89 HTR2A (0.56) TAAR1PARP1HTR2AHTR2CNISCH
SCHEMBL46213 0.87 NISCH (0.57) TAAR1PARP1HTR2AHTR2CNISCH
Hydrochloric Acid SCHEMBL14892523 0.86 NISCH (0.55) TAAR1PARP1HTR2AHTR2CNISCH
SCHEMBL38664556 0.79 TAAR1 (0.49) TAAR1PARP1HTR2AHTR2CRAD52
SCHEMBL6299491 0.78 PARP1 (0.50) PARP1KDM4EAURKACCNB2CDK1
SCHEMBL31447884 0.77 PARP1 (0.49) PARP1KDM4EAURKACCNB2CDK1
SCHEMBL2247129 0.74 AURKA (0.40) PARP1AURKACCNB2CDK1CCNB1
SCHEMBL16942848 0.73 PARP1 (0.49) TAAR1PARP1HTR2AHTR2CRAD52
SCHEMBL21806815 0.73 PDK2 (0.40) PARP1AURKACCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11746120-B2 Stat degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 US disclosed
US-11679109-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-06-20 US disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
EP-2308510-B1 Agent for regeneration and/or protection of nerves ONO PHARMACEUTICAL CO (JP) 2016-03-16 EP disclosed
US-8501793-B2 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20130143934-A1 AGENT FOR REGENERATION AND/OR PROTECTION OF NERVES ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-06 US disclosed
US-8404858-B2 Agent for regeneration and/or protection of nerves ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-26 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
US-20080114043-A1 Medicinal Composition for Inhalation ONO PHARMACEUTICAL CO., LTD (JP) 2008-05-15 US disclosed
EP-1886693-A1 AGENT FOR REGENERATION AND/OR PROTECTION OF NERVES ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-13 EP disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1806148-A1 MEDICINAL COMPOSITION FOR INHALATION ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP disclosed
US-20070129327-A1 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1745800-A1 NOVEL BLT2-MEDIATED DISEASE, AND BLT2 BINDING AGENT AND COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-24 EP disclosed
EP-1707208-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-04 EP disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 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 (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-20070129327-A1 Blood flow promoters for cauda equina tissues PTGFR, PTGIS, PTGIR TAAR1 2037/4885PARP1 4186/4885HTR2A 1886/4885
US-20080114043-A1 Medicinal Composition for Inhalation PTGER2, PTGER1, PTGIS TAAR1 1734/4885PARP1 2085/4885HTR2A 747/4885
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TAAR1 2050/4885PARP1 85/4885HTR2A 3621/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 TAAR1 2432/4885PARP1 101/4885HTR2A 3308/4885
US-20130143934-A1 AGENT FOR REGENERATION AND/OR PROTECTION OF NERVES PTGER3, PTGER2, PTGER1 TAAR1 712/4885PARP1 2798/4885HTR2A 294/4885
US-11746120-B2 Stat degraders and uses thereof STAT4, STAT1, STAT3 TAAR1 2149/4885PARP1 2549/4885HTR2A 2540/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 TAAR1 1683/4885PARP1 1917/4885HTR2A 1761/4885
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TAAR1 2050/4885PARP1 85/4885HTR2A 3621/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TAAR1 2050/4885PARP1 85/4885HTR2A 3621/4885
US-11679109-B2 SMARCA degraders and uses thereof SMARCA1, SMARCA2, SMARCC2 TAAR1 2432/4885PARP1 101/4885HTR2A 3308/4885
US-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB TAAR1 4785/4885PARP1 3099/4885HTR2A 4655/4885

“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.