SCHEMBL1204006

SCHEMBL1204006

Cc1cc(CNc2nn3c(C(=O)Nc4ccc(O)cc4)cnc3cc2C)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.41
TCF7L2 Q9NQB0 5/20 0.41
MMP13 P45452 2/20 0.40
KIT P10721 2/20 0.37
DDR2 Q16832 2/20 0.37
MMP10 P09238 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NTRK1 P04629 3/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AURKA O14965 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL1203676 0.92 HDAC3 (0.43) CTNNB1TCF7L2FLT1KDRMAPT
SCHEMBL1202812 0.87 PIM1 (0.49) MMP13ALDH1A1NTRK1PIM1
SCHEMBL1203014 0.85 DHODH (0.41) CTNNB1TCF7L2ALDH1A1MAPTKDM4E
SCHEMBL2903422 0.85 MMP13 (0.43) CTNNB1TCF7L2MMP13MMP10MMP8
SCHEMBL1203133 0.84 DDR2 (0.47) CTNNB1TCF7L2KITDDR2NTRK1
SCHEMBL1203391 0.83 ALDH1A1 (0.46) CTNNB1TCF7L2ALDH1A1MAPTNPSR1
SCHEMBL1203791 0.83 ALDH1A1 (0.46) CTNNB1TCF7L2ALDH1A1MAPTNPSR1
SCHEMBL1202844 0.83 CTNNB1 (0.47) CTNNB1TCF7L2ALDH1A1MAPTNPSR1
SCHEMBL1202030 0.82 ALDH1A1 (0.44) CTNNB1TCF7L2KITDDR2ALDH1A1
SCHEMBL1203647 0.81 FLT1 (0.41) KITDDR2ALDH1A1FLT1KDR

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 CTNNB1 2021/4885TCF7L2 2808/4885MMP13 4122/4885

“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.