SCHEMBL3514656

SCHEMBL3514656

CC(C)(C)OC(=O)Nc1nc[c]cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
AR P10275 3/20 0.38
ATR Q13535 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CYP17A1 P05093 1/20 0.33
SYK P43405 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
AAK1 Q2M2I8 3/20 0.32

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
SCHEMBL5466767 0.76 LMNA (0.51) LMNAPOLBATRRXFP1
SCHEMBL24366932 0.74 LMNA (0.40) LMNAPOLBARATRCACNA1H
SCHEMBL15660587 0.74 AAK1 (0.41) LMNAPOLBARATRCACNA1H
SCHEMBL29477586 0.74 LMNA (0.40) LMNAPOLBARATRCACNA1H
SCHEMBL2067993 0.72 ALDH1A1 (0.37)
SCHEMBL20839513 0.72 ATR (0.42) LMNAPOLBATRRXFP1NPSR1
SCHEMBL15687760 0.70 JUN (0.45) LMNAPOLBARATRCACNA1H
SCHEMBL29081695 0.70 ALDH1A1 (0.49) LMNAPOLBAR
SCHEMBL29477833 0.70 ALDH1A1 (0.49) LMNAPOLBAR
SCHEMBL15264820 0.70 ATR (0.48) ATRNPSR1CYP17A1CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
CN-101754968-A Substituted imidazopyridazines as PI3K lipid kinase inhibitors NOVARTIS AG 2010-06-23 CN 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB LMNA 3806/4885POLB 3390/4885AR 3198/4885

“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.