SCHEMBL3513764

SCHEMBL3513764

COc1ccc(-c2ccc3nc(C)c(-c4cnc(N)c(C(F)(F)F)c4)n3n2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 1.00
PIK3CD O00329 1/20 1.00
PIK3CB P42338 1/20 1.00
PIK3CG P48736 1/20 1.00
FYN P06241 8/20 0.48
TNF P01375 1/20 0.47
BRD4 O60885 1/20 0.47
FUBP1 Q96AE4 2/20 0.46
ATR Q13535 1/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12989215 0.94 PIK3CA (0.88) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3514623 0.92 PIK3CA (0.85) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3517108 0.92 PIK3CD (0.85) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL12988800 0.92 PIK3CA (0.85) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3513256 0.92 PIK3CA (0.84) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3514869 0.92 PIK3CA (0.84) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3513584 0.90 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3513251 0.88 PIK3CA (0.78) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3515588 0.86 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3512586 0.84 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGFYN

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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US claimed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB PIK3CA 2/4885PIK3CD 4/4885PIK3CB 3/4885

“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.