SCHEMBL584717

SCHEMBL584717

Cc1cn(CCN)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
RPS6KB1 P23443 1/20 0.33
GSK3B P49841 1/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADORA2B P29275 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MTOR P42345 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3877612 0.88 CYP1A2 (0.40) ALDH1A1RPS6KB1GSK3BTSHRCYP1A2
Hydrochloric Acid SCHEMBL6490685 0.86 CYP1A2 (0.42) ALDH1A1RPS6KB1GSK3BTSHRCYP1A2
SCHEMBL26298801 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27867143 0.82
SCHEMBL4338963 0.80 GRM5 (0.37) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL585236 0.79 CASP3 (0.31) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL3349143 0.78 HSD17B10 (0.38) ALDH1A1CASP3SENP8SENP7SENP6
Iodide SCHEMBL669031 0.78 GRM5 (0.36) ALDH1A1TSHRADORA2B
SCHEMBL585669 0.78 CYP19A1 (0.43) ALDH1A1RPS6KB1GSK3BTSHR
Bromide SCHEMBL6377320 0.78 ALDH1A1 (0.34) ALDH1A1CASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101568542-B 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives ACTELION PHARMACEUTICALS LTD 2013-03-27 CN disclosed
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 US disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
CN-101568542-A 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 CN disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 WO disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
EP-1140909-B1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2005-07-06 EP disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 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 (2 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-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R ALDH1A1 1460/4885CASP3 2846/4885SENP8 3951/4885
US-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS ALDH1A1 1789/4885CASP3 1279/4885SENP8 505/4885

“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.