SCHEMBL3514839

SCHEMBL3514839

CN(C)CCN1CCN(C(=O)c2ccc(-c3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nn34)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.47
PIK3CA P42336 4/20 0.46
MTOR P42345 2/20 0.46
IKBKB O14920 2/20 0.42
MET P08581 4/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
ATR Q13535 2/20 0.40
ACKR3 P25106 1/20 0.40
FYN P06241 3/20 0.39

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
SCHEMBL3514677 0.91 TNF (0.49) TNFPIK3CAMTORIKBKBMET
SCHEMBL3516142 0.90 TNF (0.48) TNFPIK3CAMETMKNK1MKNK2
SCHEMBL3514308 0.90 MKNK1 (0.50) TNFPIK3CAMKNK1MKNK2FYN
SCHEMBL3512904 0.86 TNF (0.47) TNFFYN
SCHEMBL3515819 0.84 TNF (0.49) TNFPIK3CAMETATRFYN
SCHEMBL3514196 0.84 TNF (0.45) TNFPIK3CAMTORMKNK1MKNK2
SCHEMBL3514354 0.81 PIK3CA (0.51) TNFPIK3CAMKNK1MKNK2ATR
SCHEMBL12985897 0.80 TNF (0.52) TNFPIK3CAMETMKNK1MKNK2
SCHEMBL3512832 0.80 TNF (0.57) TNFPIK3CAFYN
SCHEMBL3516131 0.79 MKNK1 (0.55) TNFPIK3CAMKNK1MKNK2FYN

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 TNF 1981/4885PIK3CA 10/4885MTOR 36/4885

“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.