SCHEMBL1203203

SCHEMBL1203203

CN(C(=O)c1cnc2ccc(Nc3ccc(F)cc3)nn12)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.42
▸ KCNH2 Q12809 3/20 0.41
▸ MKNK1 Q9BUB5 5/20 0.41
▸ FYN P06241 3/20 0.41
▸ TGFBR1 P36897 2/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ DYRK3 O43781 2/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ CDK5R1 Q15078 2/20 0.37
▸ DYRK2 Q92630 2/20 0.37
▸ DYRK1B Q9Y463 2/20 0.37
▸ USP2 O75604 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C19 P33261 3/20 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
SCHEMBL1203319 0.85 PIM1 (0.62) PIM1MKNK1FYNTGFBR1
SCHEMBL1203922 0.82 PIM1 (0.46) PIM1KCNH2MKNK1FYNTGFBR1
SCHEMBL1203006 0.80 ALDH1A1 (0.42) KCNH2MKNK1FYNTGFBR1DYRK3
SCHEMBL2905619 0.79 KCNH2 (0.47) PIM1KCNH2MKNK1FYNTGFBR1
SCHEMBL1202971 0.74 CCNA2 (0.51) KCNH2MKNK1FYNTGFBR1DYRK3
SCHEMBL1203165 0.74 MKNK1 (0.49) KCNH2MKNK1FYNTGFBR1DYRK3
SCHEMBL1203662 0.74 NTRK1 (0.39) TGFBR1GPBAR1
SCHEMBL1203800 0.74 FYN (0.53) PIM1FYNDYRK1ADYRK1BKMT2A
SCHEMBL1202963 0.73 PIM1 (0.43) PIM1FYNTGFBR1GPBAR1
SCHEMBL1202773 0.71 FYN (0.51) PIM1KCNH2MKNK1FYNTGFBR1

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 PIM1 1/4885KCNH2 944/4885MKNK1 206/4885

“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.

Send feedback