SCHEMBL3850448

SCHEMBL3850448

O=c1[nH]c2cnc(Cl)nc2n1Cc1cc(Cl)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 3/20 0.46
TRAP1 Q12931 3/20 0.46
HSP90AA1 P07900 2/20 0.46
ADORA3 P0DMS8 1/20 0.43
JAK2 O60674 3/20 0.41
JAK3 P52333 3/20 0.41
USP1 O94782 5/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
DDR1 Q08345 5/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12371649 0.80 HSP90AA1 (0.42) HSP90B1TRAP1HSP90AA1ADORA3JAK2
SCHEMBL13608396 0.79 ALDH1A1 (0.39) HSP90B1TRAP1HSP90AA1ADORA3USP1
SCHEMBL13608311 0.79 SIK2 (0.42) HSP90B1TRAP1HSP90AA1ADORA3JAK2
SCHEMBL1693811 0.79 ADORA3 (0.64) ADORA3USP1ALDH1A1SMN1; SMN2
SCHEMBL3846522 0.77 DDR1 (0.43) HSP90B1TRAP1HSP90AA1ADORA3USP1
SCHEMBL3846520 0.77 DDR1 (0.43) HSP90B1TRAP1HSP90AA1ADORA3USP1
SCHEMBL13608111 0.77 PRKCQ (0.45) HSP90B1TRAP1HSP90AA1JAK2JAK3
SCHEMBL13608144 0.77 PRKCQ (0.45) HSP90B1TRAP1HSP90AA1JAK2JAK3
SCHEMBL3846527 0.77 PRKCQ (0.45) HSP90B1TRAP1HSP90AA1JAK2JAK3
SCHEMBL13608128 0.77 PRKCQ (0.53) HSP90B1TRAP1HSP90AA1MEN1KMT2A

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 5 patents. 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
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ HSP90B1 2327/4885TRAP1 2493/4885HSP90AA1 3427/4885

“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.