SCHEMBL1204093

SCHEMBL1204093

CCOC(=O)c1cccc(NC(=O)c2cnc3ccc(NCc4ccc(OC)c(OC)c4)nn23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ FYN P06241 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ CCNT1 O60563 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44

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
SCHEMBL1203076 0.91 PIM1 (0.51) NTRK1KMT2ANPC1RAB9AMAPT
SCHEMBL1203703 0.89 KMT2A (0.49) NTRK1KMT2ANPC1RAB9AMAPT
SCHEMBL1202933 0.88 NTRK1 (0.51) NTRK1KMT2ANPC1RAB9AMAPT
SCHEMBL1202925 0.88 NTRK1 (0.49) NTRK1KMT2ANPC1RAB9AMAPT
SCHEMBL1202873 0.83 FYN (0.51) NTRK1RAB9AMAPTALDH1A1FYN
SCHEMBL1202443 0.81 KMT2A (0.49) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL1202563 0.80 MEN1 (0.53) NTRK1KMT2ANPC1RAB9AMAPT
SCHEMBL1203065 0.80 PPARA (0.54) NTRK1KMT2ANPC1RAB9AMEN1
SCHEMBL1203713 0.80 PIM1 (0.50) NTRK1KMT2ANPC1RAB9AMAPT
SCHEMBL1202561 0.79 IKBKB (0.58) FYNCDK2MAPK1

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 NTRK1 755/4885KMT2A 1247/4885NPC1 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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