SCHEMBL5486787

SCHEMBL5486787

Brc1cn2ccnc2c(OCc2ccncc2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 4/20 0.45
HTR2C P28335 1/20 0.40
MGMT P16455 2/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA2A P29274 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
IKBKB O14920 1/20 0.33
DYRK1A Q13627 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
SCHEMBL30025554 0.78 HTR2C (0.44) HTR2CL3MBTL1
SCHEMBL24529236 0.74 HTR2C (0.47) HTR2CL3MBTL1
SCHEMBL5489000 0.74 EPHB4 (0.53) EPHB4
SCHEMBL14431283 0.74 EPHB4 (0.60) EPHB4
SCHEMBL24387327 0.73 HTR2C (0.41) HTR2CL3MBTL1
SCHEMBL24386943 0.73 HTR2C (0.41) HTR2CL3MBTL1
SCHEMBL29893435 0.69 DRD1 (0.40) EPHB4HTR2CL3MBTL1
SCHEMBL23012125 0.69 MGMT (0.51) MGMTATP4AATP4BHRH4PIM1
SCHEMBL6527273 0.69 HTR2C (0.42) HTR2CL3MBTL1ADORA2ADYRK1A
SCHEMBL15956956 0.69 AURKA (0.50) EPHB4HTR2C

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
US-7259164-B2 Certain substituted imidazo[1,2-a]pyrazines, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2007-08-21 US disclosed
US-7259164-B2 Certain substituted imidazo[1,2-a]pyrazines, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2007-08-21 US disclosed
WO-2005019220-A9 SUBSTITUTED IMIDAZO[1,2-A]PYRAZINES AS MODULATORS OF KINASE ACTIVITY CELLULAR GENOMICS INC (US) 2005-06-02 WO disclosed
US-20050085484-A1 Certain substituted imidazo[1,2-a]pyrazines, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2005-04-21 US disclosed
WO-2005019220-A2 SUBSTITUTED IMIDAZO[1,2-A]PYRAZINES AS MODULATORS OF KINASE ACTIVITY CELLULAR GENOMICS INC. (US) 2005-03-03 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-20050085484-A1 Certain substituted imidazo[1,2-a]pyrazines, as modulators of kinase activity ERBB4, MAP4K4, EPHB4 EPHB4 3/4885HTR2C 2114/4885MGMT 3240/4885

“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.