SCHEMBL1202790

SCHEMBL1202790

COc1ccc(C(=O)c2cnc3ccc(-c4ccc(OC)cc4)nn23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PIK3CA P42336 1/20 0.50
ATR Q13535 1/20 0.50
TNF P01375 1/20 0.49
FYN P06241 10/20 0.49
ALOX15 P16050 2/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.45
MCL1 Q07820 1/20 0.45
TLR9 Q9NR96 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL1203694 0.94 FYN (0.54) RXFP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1202932 0.94 FYN (0.52) RXFP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1203052 0.91 MKNK1 (0.53) RXFP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1203658 0.89 FYN (0.60) RXFP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3416480 0.88 FYN (0.54) RXFP1ALDH1A1PIK3CAATRTNF
SCHEMBL1203748 0.86 FYN (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2FYN
SCHEMBL3413202 0.84 ADORA2A (0.55) RXFP1ALDH1A1NPC1RAB9ATNF
SCHEMBL1202620 0.79 PRKDC (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2ATR
SCHEMBL2903376 0.72 FYN (0.71) PIK3CAATRFYN
SCHEMBL22697130 0.71 PIK3CA (0.48) ALDH1A1PIK3CAATRFYNMEN1

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 RXFP1 1758/4885ALDH1A1 2356/4885NPC1 3092/4885

“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.