SCHEMBL3516944

SCHEMBL3516944

Nc1ncc(-c2ccc3ncc(-c4ccc(C(=O)N5CCN(Cc6ccccn6)CC5)cc4)n3n2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
TNF P01375 2/20 0.51
MKNK1 Q9BUB5 11/20 0.44
MKNK2 Q9HBH9 11/20 0.44
CYP3A4 P08684 1/20 0.43
EIF4E P06730 5/20 0.43
FYN P06241 2/20 0.42
KCNH2 Q12809 1/20 0.42
TACR3 P29371 1/20 0.41

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
SCHEMBL3513331 0.97 KDM4E (0.51) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL3515102 0.93 TNF (0.50) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL3515819 0.90 TNF (0.49) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL3515930 0.88 TNF (0.49) TNFMKNK1MKNK2CYP3A4FYN
SCHEMBL3514636 0.88 PIK3CA (0.48) ALDH1A1KDM4ETNFFYN
SCHEMBL3513643 0.87 TNF (0.47) ALDH1A1KDM4ETNFMKNK1MKNK2
SCHEMBL12985897 0.86 TNF (0.52) TNFMKNK1MKNK2CYP3A4EIF4E
SCHEMBL3516131 0.85 MKNK1 (0.55) TNFMKNK1MKNK2CYP3A4EIF4E
SCHEMBL3514391 0.84 MKNK1 (0.55) TNFMKNK1MKNK2CYP3A4EIF4E
SCHEMBL3514308 0.83 MKNK1 (0.50) TNFMKNK1MKNK2CYP3A4EIF4E

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-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
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 ALDH1A1 1196/4885KDM4E 2784/4885MAPT 4070/4885

“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.