SCHEMBL2054091

SCHEMBL2054091

COc1cc(NC2CCCNC2)nc(-c2cnc3ccc(F)cn23)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NRAS P01111 10/20 0.51
FLT3 P36888 14/20 0.51
IRAK4 Q9NWZ3 9/20 0.51
IRAK1 P51617 5/20 0.51
PDGFRB P09619 3/20 0.51
CDK7 P50613 3/20 0.51
CCNH P51946 3/20 0.51
LCK P06239 2/20 0.51
RET P07949 2/20 0.51
BLK P51451 1/20 0.51
SRPK1 Q96SB4 1/20 0.51
CHEK2 O96017 1/20 0.42
ABL1 P00519 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
DDR1 Q08345 1/20 0.42
NTRK3 Q16288 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL2054090 1.00 NRAS (0.51) NRASFLT3IRAK4IRAK1PDGFRB
SCHEMBL2054064 0.91 FLT3 (0.47) NRASFLT3IRAK4IRAK1PDGFRB
SCHEMBL2054065 0.91 FLT3 (0.47) NRASFLT3IRAK4IRAK1PDGFRB
SCHEMBL15193755 0.86 FLT3 (0.53) NRASFLT3IRAK4IRAK1PDGFRB
SCHEMBL2052907 0.86 FLT3 (0.46) NRASFLT3IRAK4IRAK1PDGFRB
SCHEMBL2052909 0.86 FLT3 (0.46) NRASFLT3IRAK4IRAK1PDGFRB
SCHEMBL15194118 0.86 IRAK4 (0.51) NRASFLT3IRAK4IRAK1PDGFRB
SCHEMBL15193072 0.86 FLT3 (0.47) NRASFLT3IRAK4IRAK1PDGFRB
SCHEMBL2054067 0.84 FLT3 (0.51) NRASFLT3IRAK4IRAK1PDGFRB
SCHEMBL15193514 0.84 IRAK4 (0.58) NRASFLT3IRAK4IRAK1PDGFRB

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-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO 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-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 NRAS 486/4885FLT3 21/4885IRAK4 12/4885

“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.