SCHEMBL1202454

SCHEMBL1202454

CN(Cc1ccc(F)cc1)c1ccc2ncc(C(=O)Nc3ccc(O)cc3)n2n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 6/20 0.52
▸ CXCR2 P25025 6/20 0.52
▸ KCNH2 Q12809 3/20 0.45
▸ NR3C1 P04150 1/20 0.44
▸ PIM1 P11309 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ TGFBR1 P36897 3/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TGFBR2 P37173 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37

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
SCHEMBL1202165 0.92 CXCR1 (0.52) CXCR1CXCR2KCNH2MAPTMAPK1
SCHEMBL1203816 0.92 CXCR1 (0.52) CXCR1CXCR2KCNH2NR3C1MAPT
SCHEMBL1203766 0.84 CXCR1 (0.44) CXCR1CXCR2KCNH2NR3C1MAPT
SCHEMBL1203027 0.82 NTRK1 (0.48) CXCR1CXCR2KCNH2MAPTNTRK1
SCHEMBL1203558 0.80 KDM4E (0.47) CXCR1CXCR2KCNH2NR3C1MAPT
SCHEMBL1203100 0.79 PIM1 (0.66) CXCR1CXCR2PIM1NTRK1NTRK3
SCHEMBL1203079 0.77 KCNH2 (0.44) CXCR1CXCR2KCNH2NR3C1MAPT
SCHEMBL1203922 0.77 PIM1 (0.46) KCNH2NR3C1PIM1NTRK1TGFBR1
SCHEMBL1202162 0.74 FYN (0.51) CXCR1CXCR2PIM1NTRK1NTRK3
SCHEMBL1203612 0.73 PIM1 (0.56) CXCR1CXCR2PIM1NTRK1NTRK3

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 3383/4885KCNH2 944/4885

“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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