SCHEMBL1203703

SCHEMBL1203703

CCOC(=O)c1cccc(NC(=O)c2cnc3ccc(NCc4ccc(O)cc4)nn23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.49
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NTRK1 P04629 2/20 0.46
▸ DYRK3 O43781 1/20 0.46
▸ CCNT1 O60563 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ ABCB1 P08183 1/20 0.46

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
SCHEMBL1202933 0.93 NTRK1 (0.51) KMT2ARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1202925 0.93 NTRK1 (0.49) KMT2ARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1203076 0.92 PIM1 (0.51) KMT2ARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1204093 0.89 NTRK1 (0.48) KMT2ARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1202839 0.88 KMT2A (0.48) KMT2ARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1202920 0.83 PIM1 (0.53) NTRK1POLBPIM1
SCHEMBL1203201 0.82 NTRK1 (0.47) KMT2ANTRK1DYRK3CCNT1CCNA2
SCHEMBL1203612 0.82 PIM1 (0.56) NTRK1ALDH1A1PIM1
SCHEMBL1203065 0.81 PPARA (0.54) KMT2ARAB9ANPC1SMN1; SMN2NTRK1
SCHEMBL1202563 0.81 MEN1 (0.53) KMT2ARAB9ANPC1SMN1; SMN2NTRK1

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 KMT2A 1247/4885RAB9A 2147/4885NPC1 3092/4885

“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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