SCHEMBL13620280

SCHEMBL13620280

O=c1[nH]c2cnc(NCC3CNC3)nc2n1Cc1cc(Cl)ccc1CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
DDR1 Q08345 11/20 0.34
IDH1 O75874 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
USP1 O94782 2/20 0.33
EPHX2 P34913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL13620234 0.94 KDM1A (0.39) HSP90AA1HSP90B1TRAP1DDR1USP1
SCHEMBL13620502 0.92 CHEK1 (0.37) HSP90AA1HSP90B1TRAP1USP1
SCHEMBL13620503 0.92 CHEK1 (0.37) HSP90AA1HSP90B1TRAP1USP1
SCHEMBL13608231 0.86 ADORA3 (0.38) HSP90AA1HSP90B1TRAP1DDR1IDH1
SCHEMBL13620235 0.83 HSP90AA1 (0.41) HSP90AA1HSP90B1TRAP1DDR1IDH1
SCHEMBL13608322 0.82 HSP90AA1 (0.44) HSP90AA1HSP90B1TRAP1DDR1IDH1
SCHEMBL13620506 0.82 HSP90AA1 (0.40) HSP90AA1HSP90B1TRAP1DDR1IDH1
SCHEMBL13608341 0.81 KDM1A (0.44) DDR1MEN1ALDH1A1POLBKMT2A
SCHEMBL13608142 0.81 KDM1A (0.44) HSP90AA1HSP90B1TRAP1DDR1IDH1
SCHEMBL12371780 0.80 EPHX2 (0.43) EPHX2ADORA3

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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ HSP90AA1 3427/4885HSP90B1 2327/4885TRAP1 2493/4885

“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.