SCHEMBL1203800

SCHEMBL1203800

COc1ccc(CNc2ccc3ncc(C(=O)N(C)c4ccc(O)cc4)n3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 9/20 0.53
▸ PIM1 P11309 2/20 0.48
▸ CLK1 P49759 3/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ IKBKB O14920 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NPC1 O15118 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
SCHEMBL1203319 0.89 PIM1 (0.62) FYNPIM1NTRK1IKBKB
SCHEMBL1203328 0.83 FYN (0.55) FYNPIM1CLK1NTRK1HDAC3
SCHEMBL1203600 0.82 FYN (0.59) FYNPIM1CLK1NTRK1NPC1
SCHEMBL1203715 0.82 PIM1 (0.49) FYNPIM1CLK1NTRK1CLK2
SCHEMBL1054209 0.79 FYN (0.76) FYNPIM1NTRK1
SCHEMBL1203409 0.79 FYN (0.56) FYNPIM1CLK1NTRK1HDAC3
SCHEMBL2902453 0.78 PIM1 (0.61) FYNPIM1NTRK1IKBKB
SCHEMBL1203735 0.76 FYN (0.52) FYNPIM1CLK1NTRK1HDAC1
SCHEMBL1203488 0.75 FYN (0.52) FYNPIM1CLK1NTRK1KMT2A
SCHEMBL14606038 0.75 FYN (0.58) FYNPIM1NTRK1

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 FYN 403/4885PIM1 1/4885CLK1 792/4885

“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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