SCHEMBL3518090

SCHEMBL3518090

Nc1ncc(-c2ccc3ncc(-c4ccc(S(N)(=O)=O)cc4)n3n2)cc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.72
KCNH2 Q12809 8/20 0.49
NTRK1 P04629 1/20 0.48
NTRK3 Q16288 1/20 0.48
NTRK2 Q16620 1/20 0.48
PIK3CA P42336 5/20 0.48
PIK3CD O00329 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
FYN P06241 4/20 0.45

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
SCHEMBL3513020 0.91 TNF (0.65) TNFKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL3517881 0.89 TNF (0.63) TNFKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL3517851 0.89 TNF (0.63) TNFKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL3516049 0.88 TNF (0.62) TNFKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL3513053 0.88 TNF (0.62) TNFKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL3515087 0.87 TNF (0.69) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3517855 0.87 TNF (0.60) TNFKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL12985683 0.86 TNF (0.63) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3513049 0.84 PIK3CA (0.59) TNFKCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL3514818 0.84 TNF (0.62) TNFKCNH2PIK3CAPIK3CDPIK3CB

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 1981/4885KCNH2 3596/4885NTRK1 1617/4885

“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.