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SCHEMBL5401294

SCHEMBL5401294

Cc1cccc(-c2cnc(N)nc2-c2c[nH]c(C(=O)N3CCOCC3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ STK4 Q13043 1/20 0.44
▸ STK3 Q13188 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ PLK4 O00444 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ MARK3 P27448 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CSNK1G2 P78368 1/20 0.43
▸ MAP4K2 Q12851 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ NTRK3 Q16288 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
SCHEMBL5397011 0.90 ADORA1 (0.53) ADORA1MAPK1MAPK10
SCHEMBL5401255 0.90 MAPK1 (0.51) ADORA1MAPK1PLK4JAK2MAP4K4
SCHEMBL5392529 0.89 MAPK1 (0.66) ADORA1MAPK1STK4STK3LRRK2
SCHEMBL5403894 0.89 ADORA1 (0.52) ADORA1MAPK1ALOX5APMAPK10FEN1
SCHEMBL5412680 0.89 ADORA1 (0.54) ADORA1POLBKMT2A
SCHEMBL5406975 0.87 ADORA1 (0.49) ADORA1MAPK1KDRPIK3CAMTOR
SCHEMBL6993666 0.85 ADORA1 (0.48) ADORA1MAPK1MAPK10
SCHEMBL5400925 0.85 CCKAR (0.54) ADORA1
SCHEMBL5405500 0.85 ADORA1 (0.47) ADORA1MAPK1LRRK2PIK3CAMTOR
SCHEMBL7089512 0.85 MAPK1 (0.60) ADORA1MAPK1STK4STK3LRRK2

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 4421/4885MAPK1 1/4885STK4 536/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 ADORA1 4106/4885MAPK1 1/4885STK4 524/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 ADORA1 4106/4885MAPK1 1/4885STK4 524/4885

“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.