SCHEMBL3512772

SCHEMBL3512772

COc1cc(-c2ccc3nc(C)cn3n2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 17/20 0.60
DYRK1A Q13627 1/20 0.53
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
GFER P55789 1/20 0.50
CXCL12 P48061 1/20 0.48

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
SCHEMBL3512399 0.90 DYRK1A (0.53) FYNDYRK1A
SCHEMBL3515595 0.88 BRD4 (0.58) FYNDYRK1A
SCHEMBL13188559 0.86 FYN (0.56) FYNGAARECQLGFER
SCHEMBL3512128 0.82 DYRK1A (0.51) FYNDYRK1A
SCHEMBL3711614 0.80 PIK3CA (0.70) FYN
SCHEMBL3513815 0.77 DYRK1A (0.64) DYRK1A
SCHEMBL25205400 0.77 DYRK1A (0.50) FYNDYRK1A
SCHEMBL937097 0.75 PIK3CG (0.51) FYNGAARECQLGFER
SCHEMBL20485770 0.75 FYN (1.00) FYN
SCHEMBL30521771 0.75 FYN (1.00) FYN

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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO 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 FYN 451/4885DYRK1A 1216/4885GAA 1077/4885

“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.