SCHEMBL1203232

SCHEMBL1203232

COc1ccc(Nc2ccc3ncc(C(=O)Nc4ccc(CO)cc4)n3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.46
FYN P06241 7/20 0.45
MAPT P10636 2/20 0.42
RET P07949 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GRM5 P41594 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39

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
SCHEMBL1202473 0.90 KDM4E (0.51) CLK1FYNMAPTRETALDH1A1
SCHEMBL1202638 0.89 RAB9A (0.50) CLK1FYNMAPTALDH1A1RAB9A
SCHEMBL1202366 0.89 DYRK3 (0.49) CLK1FYNMAPTALDH1A1KCNH2
SCHEMBL1203613 0.89 CLK1 (0.48) CLK1FYNMAPTRETALDH1A1
SCHEMBL1202773 0.87 FYN (0.51) FYNMAPTALDH1A1KCNH2MEN1
SCHEMBL1203809 0.82 PPARD (0.49) CLK1FYNMAPTRETALDH1A1
SCHEMBL1203328 0.82 FYN (0.55) CLK1FYN
SCHEMBL1203735 0.82 FYN (0.52) CLK1FYNMAPTALDH1A1
SCHEMBL2906009 0.82 FYN (0.51) FYNMAPTALDH1A1KCNH2RAB9A
SCHEMBL1203488 0.82 FYN (0.52) CLK1FYNALDH1A1GAAMEN1

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 1 patent. 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

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 CLK1 792/4885FYN 403/4885MAPT 3988/4885

“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.