Sugi Predict

Sugi Predict / Compounds / SCHEMBL3513489

SCHEMBL3513489

SCHEMBL3513489

Nc1ncc(-c2ccc3ncc(-c4ccc(C(=O)NCCCN5CCOCC5)c(F)c4)n3n2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.48
▸ PIK3CA P42336 6/20 0.47
▸ CAMK2D Q13557 1/20 0.47
▸ TNF P01375 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL3514542 0.96 IKBKB (0.53) IKBKBPIK3CACAMK2DTNFJAK2
SCHEMBL3513309 0.90 PIK3CA (0.50) PIK3CACAMK2DTNFJAK2JAK1
SCHEMBL3516403 0.90 MKNK1 (0.51) IKBKBPIK3CACAMK2DTNFJAK1
SCHEMBL3515055 0.88 LMNA (0.47) PIK3CACAMK2DTNFKDM4EALDH1A1
SCHEMBL3516142 0.87 TNF (0.48) PIK3CACAMK2DTNFMKNK1MKNK2
SCHEMBL3514650 0.87 CAMK2D (0.48) PIK3CACAMK2DTNFKMT2AJAK1
SCHEMBL3513040 0.86 PDE4B (0.52) PIK3CACAMK2DTNFALDH1A1GAA
SCHEMBL3513008 0.85 CAMK2D (0.56) IKBKBPIK3CACAMK2DTNFMKNK1
SCHEMBL3515983 0.84 CAMK2D (0.56) IKBKBPIK3CACAMK2DTNFALDH1A1
SCHEMBL3516061 0.84 PDE4B (0.47) PIK3CACAMK2DTNFALDH1A1GAA

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 IKBKB 283/4885PIK3CA 10/4885CAMK2D 732/4885

“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.