Sugi Predict

Sugi Predict / Compounds / SCHEMBL5404667

SCHEMBL5404667

SCHEMBL5404667

COc1ccc(-c2cnc(N)nc2-c2c[nH]c(C(=O)N3CCc4ccccc4C3)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 4/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ ABCB1 P08183 10/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL5398877 0.87 MAPK1 (0.54) ADORA1HPGDPOLBGAAKMT2A
SCHEMBL5410578 0.86 MAPK1 (0.54) ADORA1ALDH1A1MAPTHPGDPOLB
SCHEMBL5405421 0.85 ADORA1 (0.53) ADORA1KMT2AADORA2A
SCHEMBL5390969 0.84 MAPK1 (0.68) ADORA1HPGDPOLBGAAKMT2A
SCHEMBL5404432 0.84 ADORA1 (0.52) ADORA1MAPTMAPK1ADORA2ATP53
SCHEMBL5405504 0.84 PRKCZ (0.55) ADORA1MAPTHPGDPOLBKMT2A
SCHEMBL5400730 0.84 ADORA1 (0.49) ADORA1KMT2AADORA2A
SCHEMBL5401499 0.83 ADORA1 (0.51) ADORA1ALDH1A1HPGDKMT2AMEN1
SCHEMBL5401741 0.82 ADORA1 (0.46) ADORA1ABCB1ADORA2A
SCHEMBL5405217 0.82 ADORA1 (0.50) ADORA1ALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 — — EP claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 — — US claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 — — US claimed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 — — EP disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 — — US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 — — US disclosed
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 — — 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 (3 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-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 ADORA1 4421/4885ALDH1A1 3899/4885MAPT 4602/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 ADORA1 4106/4885ALDH1A1 2909/4885MAPT 4466/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 ADORA1 4106/4885ALDH1A1 2909/4885MAPT 4466/4885

“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.