SCHEMBL2323944

SCHEMBL2323944

Cc1nccn2c1cnc2[C@H]1CC[C@H](N2CCN(C)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 4/20 0.36
TNK2 Q07912 1/20 0.36
PDE1B Q01064 4/20 0.35
PDE1A P54750 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
IGF1R P08069 5/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPK6 Q16659 1/20 0.33
ACVR1 Q04771 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32

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
SCHEMBL2323948 1.00 PDE1C (0.36) PDE1CTNK2PDE1BPDE1AHRH3
SCHEMBL2321454 0.87 PDE1B (0.39) PDE1CPDE1BPDE1A
SCHEMBL2320573 0.86 PDE1B (0.41) PDE1CPDE1BPDE1A
SCHEMBL2320576 0.86 PDE1B (0.41) PDE1CPDE1BPDE1A
SCHEMBL2324047 0.86 PDE1C (0.35) PDE1CTNK2PDE1BPDE1AHRH3
SCHEMBL23834518 0.86 PDE1C (0.35) PDE1CTNK2PDE1BPDE1AHRH3
SCHEMBL2324052 0.86 PDE1C (0.35) PDE1CTNK2PDE1BPDE1AHRH3
SCHEMBL2324481 0.85 IRAK4 (0.38) PDE1CPDE1BPDE1A
SCHEMBL2324487 0.85 IRAK4 (0.38) PDE1CPDE1BPDE1A
SCHEMBL2327693 0.81 HPGDS (0.36) PDE1CPDE1BPDE1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023052406-A1 TREATMENT OF SUBJECTS SUFFERING FROM HAVING CHOLANGIOCARCINOMA NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V. (NL) 2023-04-06 WO disclosed
EP-2534151-B1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MERCK SHARP & DOHME (NL) 2018-11-14 EP disclosed
US-8658794-B2 8-methyl-1-phenyl-imidazol[1,5-a]pyrazine compounds as Lck inhibitors and uses thereof MERCK SHARP & DOHME B.V. (NL) 2014-02-25 US disclosed
EP-2534151-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MSD Oss B.V. (NL) 2012-12-19 EP disclosed
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2012-12-06 US disclosed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 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 (1 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-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS LCK, ZAP70, FYN PDE1C 951/4885TNK2 142/4885PDE1B 900/4885

“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.