SCHEMBL3515596

SCHEMBL3515596

Nc1ncc(-c2ccc3ncc(-c4ccc(S(=O)(=O)NCCN5CCOCC5)cc4)n3n2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.53
PIK3CA P42336 9/20 0.47
EPHX2 P34913 1/20 0.45
NEK1 Q96PY6 1/20 0.43
PIM1 P11309 1/20 0.43
CAMK2D Q13557 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
PKM P14618 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
SCHEMBL3513315 0.95 TNF (0.51) TNFPIK3CAJAK2JAK1TYK2
SCHEMBL12985783 0.92 TNF (0.52) TNFPIK3CAPIM1CAMK2DPIK3CD
SCHEMBL3515200 0.88 TNF (0.55) TNFPIK3CAPIM1CAMK2DPIK3CD
SCHEMBL3513008 0.85 CAMK2D (0.56) TNFPIK3CACAMK2D
SCHEMBL3513049 0.84 PIK3CA (0.59) TNFPIK3CAJAK2PIK3CDPIK3CB
SCHEMBL3516403 0.83 MKNK1 (0.51) TNFPIK3CACAMK2DJAK1
SCHEMBL3515983 0.82 CAMK2D (0.56) TNFPIK3CACAMK2D
SCHEMBL3516131 0.82 MKNK1 (0.55) TNFPIK3CACAMK2D
SCHEMBL3515016 0.82 TNF (0.50) TNFPIK3CAEPHX2PIM1PIK3CD
SCHEMBL3514542 0.81 IKBKB (0.53) TNFPIK3CAEPHX2PIM1CAMK2D

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
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

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 10/4885EPHX2 2946/4885

“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.