SCHEMBL3515016

SCHEMBL3515016

Nc1ncc(-c2ccc3ncc(-c4ccc(OCCCN5CCOCC5)cc4)n3n2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.50
PIK3CA P42336 6/20 0.47
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
PIM1 P11309 1/20 0.44
HRH3 Q9Y5N1 3/20 0.42
MET P08581 1/20 0.42
EPHX2 P34913 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 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
SCHEMBL3514239 0.85 TNF (0.55) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3516403 0.84 MKNK1 (0.51) TNFPIK3CAMKNK1MKNK2
SCHEMBL12986092 0.84 TNF (0.54) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3515200 0.84 TNF (0.55) TNFPIK3CAPIM1PIK3CDPIK3CB
SCHEMBL3516131 0.84 MKNK1 (0.55) TNFPIK3CAMKNK1MKNK2
SCHEMBL3513315 0.84 TNF (0.51) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3517662 0.83 TNF (0.46) TNFPIK3CAPIM1METPIK3CD
SCHEMBL3513008 0.83 CAMK2D (0.56) TNFPIK3CAMKNK1MKNK2
SCHEMBL3515596 0.82 TNF (0.53) TNFPIK3CAPIM1EPHX2PIK3CD
SCHEMBL3512840 0.82 TNF (0.52) TNFPIK3CAPIK3CDPIK3CBPIK3CG

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 1981/4885PIK3CA 10/4885BMPR1B 3085/4885

“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.