SCHEMBL1202168

SCHEMBL1202168

O=C(O)c1cnc2ccc(CCc3ccccc3)nn12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 12/20 0.47
▸ GRK5 P34947 1/20 0.47
▸ KDM4A O75164 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ TGFBR1 P36897 2/20 0.41
▸ GRN P28799 2/20 0.39
▸ SORT1 Q99523 2/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL1203163 0.81 FYN (0.46) FYNGRK5KDM4AKDM5AKDM4C
SCHEMBL12850753 0.71 TNF (0.51) TGFBR1
SCHEMBL21083379 0.71 TGFBR1 (0.52) FYNTGFBR1
SCHEMBL27261942 0.68 LDHA (0.50) KDM4AKDM5AKDM4CKDM5BKCNH2
SCHEMBL23872989 0.68 GRN (0.45) FYNTGFBR1GRNSORT1
SCHEMBL2902453 0.66 PIM1 (0.61) FYN
SCHEMBL24736890 0.66 POLB (0.46) —
SCHEMBL21637243 0.66 HTT (0.47) TGFBR1
SCHEMBL21083366 0.65 TGFBR1 (0.80) TGFBR1
SCHEMBL20534023 0.64 GRN (0.44) GRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-02-24 — — US disclosed
EP-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 — — EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 — — 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-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 FYN 403/4885GRK5 365/4885KDM4A 866/4885

“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.

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