SCHEMBL3516142

SCHEMBL3516142

Nc1ncc(-c2ccc3ncc(-c4ccc(C(=O)N5CCN(CCN6CCOCC6)CC5)c(F)c4)n3n2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.48
MET P08581 4/20 0.46
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
PIK3CA P42336 5/20 0.44
PARP1 P09874 1/20 0.44
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
LRRK2 Q5S007 1/20 0.43
CAMK2D Q13557 1/20 0.41
EIF4E P06730 1/20 0.40
PIM1 P11309 1/20 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 0.92 TNF (0.49) TNFMETMKNK1MKNK2PIK3CA
SCHEMBL3514354 0.90 PIK3CA (0.51) TNFMKNK1MKNK2PIK3CALRRK2
SCHEMBL3514839 0.90 TNF (0.47) TNFMETMKNK1MKNK2PIK3CA
SCHEMBL3516131 0.89 MKNK1 (0.55) TNFMKNK1MKNK2PIK3CACAMK2D
SCHEMBL3514542 0.88 IKBKB (0.53) TNFMETPIK3CACAMK2DPIM1
SCHEMBL3512904 0.87 TNF (0.47) TNF
SCHEMBL3513489 0.87 IKBKB (0.48) TNFMKNK1MKNK2PIK3CACAMK2D
SCHEMBL3515819 0.85 TNF (0.49) TNFMETPIK3CAPARP1
SCHEMBL3514196 0.85 TNF (0.45) TNFMKNK1MKNK2PIK3CAPARP1
SCHEMBL3514853 0.83 PIK3CA (0.48) TNFMKNK1MKNK2PIK3CALRRK2

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US 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
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 1981/4885MET 2000/4885MKNK1 109/4885

“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.