SCHEMBL893226

SCHEMBL893226

Cc1nc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)cn2c1C1CCN(C=S(=O)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.51
PIK3R1 P27986 12/20 0.51
PIK3CD O00329 9/20 0.51
KCNH2 Q12809 1/20 0.48
HDAC6 Q9UBN7 1/20 0.44
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL891672 0.88 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL893462 0.86 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL15603032 0.85 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL15603090 0.84 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL15602983 0.84 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL10092219 0.82 PIK3CA (0.52) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL632270 0.81 PIK3CA (0.49) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL893110 0.81 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL632374 0.81 PIK3CA (0.51) PIK3CAPIK3R1PIK3CDKCNH2HDAC6
SCHEMBL20458892 0.80 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDKCNH2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
WO-2010119264-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCÓLOGICAS (CNIO) (ES) 2010-10-21 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-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA PIK3CA 2/4885PIK3R1 6/4885PIK3CD 11/4885

“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.