SCHEMBL6891087

SCHEMBL6891087

CNC(=O)c1cnn(C)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.57
PLK4 O00444 1/20 0.42
JAK2 O60674 1/20 0.42
RET P07949 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
PIM3 Q86V86 1/20 0.42
ALK Q9UM73 1/20 0.42
NR4A2 P43354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL1522076 0.92 PDE10A (0.59) PDE10APLK4JAK2RETPIM1
SCHEMBL6892979 0.91 PDE10A (0.57) PDE10APLK4JAK2RETPIM1
SCHEMBL6889352 0.90 PDE10A (0.55) PDE10APLK4JAK2RETPIM1
SCHEMBL6892083 0.89 PDE10A (0.73) PDE10APLK4JAK2RETPIM1
SCHEMBL1459314 0.88 PDE10A (0.53) PDE10APLK4JAK2RETPIM1
SCHEMBL1457842 0.87 PDE10A (0.53) PDE10APLK4JAK2RETPIM1
SCHEMBL1522074 0.87 PDE10A (0.72) PDE10A
SCHEMBL1457834 0.87 PDE10A (0.52) PDE10APLK4JAK2RETPIM1
SCHEMBL1457763 0.85 PDE10A (0.51) PDE10AKDM4EALDH1A1
SCHEMBL1522091 0.84 PDE10A (0.75) PDE10AKDM4EHPGDSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263584-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
US-8017604-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
US-20110071128-A1 NOVEL IMIDAZOPYRIDINES HOFFMANN-LA ROCHE, INC. 2011-03-24 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-20110071128-A1 NOVEL IMIDAZOPYRIDINES PDE10A, PDE4A, PDE3A PDE10A 1/4885PLK4 2185/4885JAK2 2090/4885

“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.