SCHEMBL5488996

SCHEMBL5488996

NC(c1ccncc1)c1nc(Br)cn2ccnc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
ADORA2A P29274 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NUDT1 P36639 1/20 0.34
DYRK1A Q13627 2/20 0.32
ADORA1 P30542 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL6276426 0.84 AURKA (0.37) HTR2CADORA2AL3MBTL1ADORA1
SCHEMBL5474686 0.74 AURKA (0.50) LMNA
SCHEMBL5477688 0.69 NUDT1 (0.55) HTR2CADORA2AL3MBTL1NUDT1DYRK1A
SCHEMBL15956956 0.69 AURKA (0.50) HTR2C
SCHEMBL6527273 0.69 HTR2C (0.42) HTR2CADORA2AL3MBTL1NUDT1DYRK1A
SCHEMBL103894 0.68 HTR2C (0.53) HTR2CADORA2AL3MBTL1NUDT1ADORA1
SCHEMBL5486787 0.67 EPHB4 (0.45) HTR2CADORA2AL3MBTL1DYRK1A
SCHEMBL5489000 0.66 EPHB4 (0.53)
SCHEMBL5481710 0.66 HTR2C (0.48) HTR2CADORA2AL3MBTL1NUDT1DYRK1A
SCHEMBL24386932 0.65 HTR2C (0.50) HTR2CL3MBTL1NUDT1

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 4 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
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 HTR2C 2114/4885ADORA2A 1221/4885L3MBTL1 4189/4885

“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.