SCHEMBL3514650

SCHEMBL3514650

Nc1ncc(-c2ccc3ncc(-c4ccc(C(=O)NCCCN5CCOCC5)cc4F)n3n2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.48
TNF P01375 2/20 0.45
PIK3CA P42336 3/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NAMPT P43490 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
WDR5 P61964 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
JAK1 P23458 1/20 0.40
BRAF P15056 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL3515987 0.96 CAMK2D (0.52) CAMK2DTNFPIK3CACD274
SCHEMBL3516403 0.91 MKNK1 (0.51) CAMK2DTNFPIK3CAMKNK1MKNK2
SCHEMBL3515055 0.87 LMNA (0.47) CAMK2DTNFPIK3CAKDM4EALDH1A1
SCHEMBL12985812 0.87 TNF (0.46) CAMK2DTNFPIK3CA
SCHEMBL3513489 0.87 IKBKB (0.48) CAMK2DTNFPIK3CAMKNK1MKNK2
SCHEMBL3513008 0.86 CAMK2D (0.56) CAMK2DTNFPIK3CAMKNK1MKNK2
SCHEMBL3515983 0.85 CAMK2D (0.56) CAMK2DTNFPIK3CAALDH1A1GAA
SCHEMBL3516061 0.83 PDE4B (0.47) CAMK2DTNFPIK3CAALDH1A1GAA
SCHEMBL3514542 0.82 IKBKB (0.53) CAMK2DTNFPIK3CAALDH1A1GAA
SCHEMBL3514288 0.82 TNF (0.44) CAMK2DTNFPIK3CANAMPTKDM4E

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 CAMK2D 732/4885TNF 1981/4885PIK3CA 10/4885

“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.