SCHEMBL3513347

SCHEMBL3513347

Nc1ncc(-c2cnc3ccc(-c4ccc(OCCN5CCCC5=O)c(F)c4)nn23)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.48
CTSK P43235 1/20 0.45
TNF P01375 2/20 0.44
PIK3CA P42336 6/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
EGLN2 Q96KS0 1/20 0.40
FYN P06241 5/20 0.38
ATR Q13535 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SYK P43405 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL3515193 0.96 CTSS (0.44) CTSSCTSKTNFPIK3CAPIK3CD
SCHEMBL3517135 0.91 PIK3CA (0.53) CTSSCTSKTNFPIK3CAPIK3CD
SCHEMBL3515015 0.89 TNF (0.47) CTSSCTSKTNFPIK3CAPIK3CD
SCHEMBL3515901 0.85 TNF (0.46) CTSSCTSKTNFPIK3CAPIK3CD
SCHEMBL3512957 0.83 CTSS (0.40) CTSSCTSKEGLN2FYNHRH3
SCHEMBL3514495 0.80 PIK3CA (0.61) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3513311 0.79 HRH3 (0.40) CTSSPIK3CAEGLN2FYNATR
SCHEMBL3514734 0.76 PIK3CA (0.62) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3513013 0.76 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3515613 0.76 TNF (0.54) 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 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 CTSS 4068/4885CTSK 2518/4885TNF 1981/4885

“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.