SCHEMBL3515795

SCHEMBL3515795

[N]c1ncc(-c2ccc3ncc(Br)n3n2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.50
TGFBR1 P36897 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
FYN P06241 9/20 0.37
DYRK1A Q13627 3/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3515935 0.85 TNF (0.52) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3512871 0.85 TNF (0.68) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514693 0.79 TNF (0.52) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31602006 0.71 FYN (0.40) TNFFYN
SCHEMBL3515087 0.71 TNF (0.69) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL21644070 0.69 FYN (0.61) FYNDYRK1A
SCHEMBL21193170 0.69 DYRK1A (0.38) TNFDYRK1A
SCHEMBL3515357 0.68 TNF (0.65) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16555099 0.68 MKNK1 (0.51) TGFBR1FYN
SCHEMBL3512759 0.67 FYN (0.65) TNFFYN

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 3 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 disclosed
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 disclosed
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 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 1981/4885TGFBR1 1748/4885PIK3CA 10/4885

“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.