SCHEMBL2326485

SCHEMBL2326485

C[N+]12C=CN=CC1=C(N1CCNCC1)N=C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADRB2 P07550 1/20 0.31
NCF1 P14598 1/20 0.31
PLD1 Q13393 1/20 0.31

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
Hydrochloric Acid SCHEMBL2327319 0.98 KDM4E (0.33) ADRB1KDM4EALDH1A1ADRB2NCF1
Ethyl Acetate SCHEMBL14121748 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2324434 0.72 HTR2C (0.30)
SCHEMBL23932539 0.52 ALDH1A1 (0.52) ADRB1KDM4EALDH1A1ADRB2NCF1
SCHEMBL27699120 0.51 ADRB1 (0.41) ADRB1KDM4EALDH1A1ADRB2NCF1
SCHEMBL31466596 0.51 CASP1 (0.46) ADRB1ALDH1A1NCF1PLD1
SCHEMBL1229731 0.51 HRH1 (0.85) ADRB1KDM4EALDH1A1ADRB2NCF1
SCHEMBL15748040 0.51 HRH1 (0.61) ADRB1KDM4EALDH1A1ADRB2NCF1
SCHEMBL5570604 0.51 ADRB1 (0.77) ADRB1KDM4EALDH1A1ADRB2NCF1
SCHEMBL13116668 0.51 HTR2C (0.56) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADRB1 1679/4885KDM4E 329/4885ALDH1A1 2434/4885

“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.