SCHEMBL1203586

SCHEMBL1203586

CCOC(=O)c1cccc(NCC(=O)c2cnc3ccc(Nc4ccc(OC)cc4)nn23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.47
▸ ERBB3 P21860 1/20 0.47
▸ 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
▸ CDC25B P30305 3/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ CDC25C P30307 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL1203713 0.90 PIM1 (0.50) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1202443 0.88 KMT2A (0.49) EGFRERBB3DYRK3CCNT1CCNA2
SCHEMBL1203883 0.83 MAPT (0.41) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1203587 0.83 DYRK3 (0.45) EGFRERBB3DYRK3CCNT1CCNA2
SCHEMBL1203562 0.81 MAPT (0.41) EGFRERBB3DYRK3CCNT1CCNA2
SCHEMBL1203201 0.81 NTRK1 (0.47) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1203076 0.80 PIM1 (0.51) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL2906009 0.74 FYN (0.51) EGFRERBB3DYRK3CCNT1CCNA2
SCHEMBL1203715 0.74 PIM1 (0.49) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1202638 0.73 RAB9A (0.50) EGFRERBB3DYRK3CCNT1CCNA2

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 EGFR 404/4885ERBB3 247/4885DYRK3 481/4885

“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