SCHEMBL5403938

SCHEMBL5403938

COCc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.53
CDK2 P24941 9/20 0.53
MAPK1 P28482 5/20 0.53
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
CCND2 P30279 3/20 0.41
CCND3 P30281 3/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
IGF1R P08069 1/20 0.40
BRAF P15056 1/20 0.39
LMNA P02545 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL5395561 0.87 AURKA (0.56) AURKACDK2MAPK1
SCHEMBL14368147 0.85 AURKA (0.77) AURKACDK2MAPK1
SCHEMBL27582157 0.84 AURKA (0.53) AURKACDK2MAPK1CDK4CCND1
SCHEMBL5403837 0.84 AURKA (0.38) AURKACDK2MAPK1CYP1A2MEN1
SCHEMBL2787595 0.83 AURKA (0.69) AURKACDK2MAPK1
SCHEMBL5403698 0.80 AURKA (0.63) AURKACDK2MAPK1
SCHEMBL5391016 0.79 LMNA (0.36) MAPK1LMNA
Propionamide SCHEMBL27582122 0.79 AURKA (0.64) AURKACDK2MAPK1
SCHEMBL16893016 0.79 AURKA (0.59) AURKACDK2MAPK1
SCHEMBL5403707 0.78 AURKA (0.56) AURKACDK2MAPK1CDK4CCND3

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 17 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
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 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
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US 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 AURKA 3692/4885CDK2 66/4885MAPK1 1/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 AURKA 1989/4885CDK2 9/4885MAPK1 1/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 AURKA 1989/4885CDK2 9/4885MAPK1 1/4885

“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.