SCHEMBL5415832

SCHEMBL5415832

CCNc1nccc(-c2c[nH]c(C(=O)O)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
AURKA O14965 3/20 0.45
TTK P33981 3/20 0.45
AURKB Q96GD4 3/20 0.45
INCENP Q9NQS7 3/20 0.45
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 1/20 0.40
AKT3 Q9Y243 1/20 0.40
PIK3CA P42336 1/20 0.40
VCP P55072 1/20 0.40
MAPK8 P45983 2/20 0.40
NOTUM Q6P988 1/20 0.40
CAMK2D Q13557 3/20 0.39
EIF2AK2 P19525 1/20 0.39
KDR P35968 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
KMO O15229 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
SCHEMBL5396177 0.86 AURKA (0.61) PDPK1AURKATTKAURKBINCENP
SCHEMBL5390965 0.77 AURKA (0.50) AURKA
SCHEMBL5396920 0.76 CDC7 (0.49) PIM1MKNK2AKT3GSK3B
SCHEMBL28620138 0.76 NOTUM (0.53) NOTUMCCNCCDK8KMO
SCHEMBL5392838 0.76 AURKA (0.50) PDPK1AURKATTKAURKBINCENP
SCHEMBL29891398 0.76 NOTUM (0.53) NOTUMCCNCCDK8KMO
SCHEMBL4851198 0.75 PIK3CG (0.58) AURKATTKAURKBINCENPPIK3CA
SCHEMBL5406903 0.75 AURKA (0.41) AURKANOTUM
SCHEMBL27599451 0.74 MAPK1 (0.38) AURKAGSK3B
SCHEMBL5403837 0.72 AURKA (0.38) AURKA

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 15 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
CN-100534991-C Heterocyclic inhibitors of ERK 2 and uses thereof VERTEX PHARMA (US) 2009-09-02 CN claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 US claimed
CN-1494541-A heterocyclic inhibitors of ERK2 and uses thereof ��̩��˹ҩ��ɷ����޹�˾ 2004-05-05 CN claimed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO claimed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 EP disclosed
CN-100534991-C Heterocyclic inhibitors of ERK 2 and uses thereof VERTEX PHARMA (US) 2009-09-02 CN 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
CN-1494541-A heterocyclic inhibitors of ERK2 and uses thereof ��̩��˹ҩ��ɷ����޹�˾ 2004-05-05 CN disclosed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP disclosed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 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 (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 PDPK1 255/4885AURKA 3692/4885TTK 408/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 PDPK1 166/4885AURKA 1989/4885TTK 128/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 PDPK1 166/4885AURKA 1989/4885TTK 128/4885

“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.