SCHEMBL3514034

SCHEMBL3514034

COc1cc(-c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nn23)c(F)cc1C(=O)NCCn1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.41
TNF P01375 2/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
FYN P06241 3/20 0.38
DAPK1 P53355 1/20 0.37
GRK5 P34947 1/20 0.36
RIPK1 Q13546 3/20 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
SCHEMBL3514288 0.86 TNF (0.44) PIK3CATNFKDM4EFYN
SCHEMBL3516061 0.86 PDE4B (0.47) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL12986447 0.85 TNF (0.42) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3515055 0.84 LMNA (0.47) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3515961 0.82 TNF (0.47) PIK3CATNFKDM4EFYNDAPK1
SCHEMBL3513040 0.77 PDE4B (0.52) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3513309 0.74 PIK3CA (0.50) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3516123 0.73 CAMK2D (0.55) PIK3CATNFFYNGRK5
SCHEMBL3514542 0.73 IKBKB (0.53) PIK3CATNFALDH1A1
SCHEMBL3515987 0.73 CAMK2D (0.52) PIK3CATNFGRK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US claimed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP claimed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO claimed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A PIK3CA 10/4885TNF 1981/4885PIK3CD 12/4885

“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.