SCHEMBL16296161

SCHEMBL16296161

Cc1cc(-c2cn3nc(N)nc3cn2)cc(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.39
PIK3CD O00329 5/20 0.39
PIK3CA P42336 4/20 0.39
PIK3CB P42338 3/20 0.39
LRRK2 Q5S007 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
TTK P33981 6/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
FYN P06241 2/20 0.35

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
SCHEMBL2186588 0.78 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBLRRK2
SCHEMBL16296349 0.75 CHEK1 (0.44) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL16295121 0.72 ATR (0.45) LRRK2FYN
SCHEMBL30728843 0.71 CHEK1 (0.50)
SCHEMBL16296404 0.71 JMJD6 (0.46)
SCHEMBL16296290 0.71 PTPN1 (0.39) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL16295745 0.71 TTK (0.74) PIK3CGPIK3CDPIK3CAPIK3CBLRRK2
SCHEMBL16295446 0.70 TTK (0.75) LRRK2TTK
SCHEMBL3098319 0.69 NUDT1 (0.63) LRRK2ADORA2AADORA1ADORA3CA1
SCHEMBL18599135 0.66 ALOX5AP (0.32) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
US-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
US-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
EP-3008061-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 EP disclosed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO disclosed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 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-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BUB1B, PLK1, BRCA1 PIK3CG 193/4885PIK3CD 119/4885PIK3CA 23/4885

“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.