Sugi Predict

Sugi Predict / Compounds / SCHEMBL3515901

SCHEMBL3515901

SCHEMBL3515901

Nc1ncc(-c2cnc3ccc(-c4ccc(OCCCN5CCCC5=O)cc4)nn23)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.46
▸ PIK3CA P42336 4/20 0.42
▸ CTSS P25774 3/20 0.41
▸ PDK2 Q15119 3/20 0.41
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ CTSK P43235 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
SCHEMBL3515015 0.96 TNF (0.47) TNFPIK3CACTSSPDK2PIK3CD
SCHEMBL3515193 0.89 CTSS (0.44) TNFPIK3CACTSSPIK3CDPIK3CB
SCHEMBL3517889 0.88 TNF (0.46) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514756 0.86 PIK3CA (0.57) TNFPIK3CACTSSPDK2PIK3CD
SCHEMBL3513347 0.85 CTSS (0.48) TNFPIK3CACTSSPIK3CDPIK3CB
SCHEMBL3517135 0.84 PIK3CA (0.53) TNFPIK3CACTSSPIK3CDPIK3CB
SCHEMBL3512840 0.83 TNF (0.52) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3513329 0.82 TNF (0.53) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3512838 0.81 TNF (0.52) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3515016 0.80 TNF (0.50) 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 TNF 1981/4885PIK3CA 10/4885CTSS 4068/4885

“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.