SCHEMBL1203766

SCHEMBL1203766

Cc1cc2ncc(C(=O)Nc3ccc(O)cc3)n2nc1N(C)Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 6/20 0.44
▸ CXCR2 P25025 6/20 0.44
▸ NR3C1 P04150 2/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MCHR1 Q99705 1/20 0.37
▸ HTR1E P28566 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ CTNNB1 P35222 1/20 0.36
▸ TCF7L2 Q9NQB0 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KIT P10721 1/20 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
SCHEMBL1202454 0.84 CXCR1 (0.52) CXCR1CXCR2NR3C1KCNH2MAPK1
SCHEMBL2902263 0.83 PPARA (0.39) CXCR1CXCR2MAPTSMN1; SMN2
SCHEMBL1202165 0.77 CXCR1 (0.52) CXCR1CXCR2KCNH2MAPK1NPSR1
SCHEMBL1203816 0.77 CXCR1 (0.52) CXCR1CXCR2NR3C1KCNH2MAPK1
SCHEMBL1203737 0.76 CTNNB1 (0.46) CTNNB1TCF7L2ALDH1A1
SCHEMBL1204006 0.74 CTNNB1 (0.41) NPSR1MAPTCTNNB1TCF7L2ALDH1A1
SCHEMBL1203391 0.74 ALDH1A1 (0.46) CXCR1CXCR2MAPK1NPSR1MAPT
SCHEMBL1202844 0.74 CTNNB1 (0.47) CXCR1CXCR2MAPK1NPSR1MAPT
SCHEMBL1203791 0.74 ALDH1A1 (0.46) CXCR1CXCR2MAPK1NPSR1MAPT
SCHEMBL1203100 0.73 PIM1 (0.66) CXCR1CXCR2ALDH1A1

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 CXCR1 2620/4885CXCR2 3383/4885NR3C1 2295/4885

“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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