SCHEMBL6894557

SCHEMBL6894557

CCNc1ccc(-c2c(Cl)ncnc2CC)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.42
KIT P10721 1/20 0.40
HCAR3 P49019 1/20 0.39
PIK3CA P42336 8/20 0.39
PIK3CD O00329 1/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CNR2 P34972 1/20 0.37
EGFR P00533 1/20 0.35
MTOR P42345 7/20 0.33
ALOX5AP P20292 1/20 0.32
MAP4K4 O95819 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL6893238 0.87 PIK3CA (0.40) HCAR3PIK3CAMTORMAPT
SCHEMBL6896549 0.80 PIK3CA (0.44) PIK3CAMTOR
SCHEMBL6893225 0.78 PIK3CA (0.46) PIK3CAPIK3CDMTOR
SCHEMBL516262 0.75 PIK3CA (0.50) PIK3CAMTOR
SCHEMBL10158160 0.71 PIK3CA (0.51) KITHCAR3PIK3CAMTOR
SCHEMBL15356477 0.69 KIT (0.50) PIK3CGKITHCAR3PIK3CAPIK3CD
SCHEMBL12497548 0.68 PTK2 (0.56) HCAR3ADRA2AADRA2BADRA2CKDM4E
SCHEMBL12137902 0.68 DHFR (0.48) ADRA2A
SCHEMBL30559517 0.67 ACHE (0.56) PIK3CGHCAR3PIK3CAPIK3CDPIP5K1C
SCHEMBL26846315 0.67 PIK3CG (0.50) PIK3CGKITHCAR3PIK3CAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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-20120028952-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 PIK3CG 3507/4885KIT 37/4885HCAR3 2618/4885

“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.