SCHEMBL1203014

SCHEMBL1203014

COc1ccc(CNc2nn3c(C(=O)Nc4ccc(O)cc4)cnc3cc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
CLK1 P49759 2/20 0.41
HIF1A Q16665 1/20 0.41
CTNNB1 P35222 2/20 0.40
TCF7L2 Q9NQB0 2/20 0.40
FYN P06241 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRM4 P08173 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1203576 0.92 DHODH (0.49) DHODHHIF1ACTNNB1TCF7L2ALDH1A1
SCHEMBL1202234 0.91 KDM4E (0.47) DHODHKDM4ECLK1HIF1ACTNNB1
SCHEMBL1204006 0.85 CTNNB1 (0.41) KDM4ECTNNB1TCF7L2ALDH1A1NPC1
SCHEMBL1203745 0.85 PPARD (0.46) DHODHHIF1AALDH1A1MEN1KMT2A
SCHEMBL2903393 0.85 KDM4E (0.47) KDM4ECLK1FYNALDH1A1CHRM4
SCHEMBL1203328 0.84 FYN (0.55) CLK1HIF1AFYN
SCHEMBL1203495 0.84 ALDH1A1 (0.43) DHODHGAAHIF1AALDH1A1L3MBTL1
SCHEMBL1202941 0.83 KMT2A (0.47) ALDH1A1MEN1HTTKMT2ANPC1
SCHEMBL1203676 0.83 HDAC3 (0.43) DHODHCTNNB1TCF7L2MEN1KMT2A
SCHEMBL1203791 0.81 ALDH1A1 (0.46) CTNNB1TCF7L2FYNALDH1A1MEN1

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 DHODH 4080/4885KDM4E 698/4885GAA 2537/4885

“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.