SCHEMBL5391016

SCHEMBL5391016

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
NOTUM Q6P988 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.34
MAPK10 P53779 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
PTK2B Q14289 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5401253 0.88 DHFR (0.39) NOTUMMAPTMAPK1NPSR1
SCHEMBL6997967 0.85 NOTUM (0.38) NOTUMMAPK1
SCHEMBL5401708 0.84 DHFR (0.41) LMNANOTUMMAPTMAPK1GAA
SCHEMBL5403837 0.82 AURKA (0.38) LMNATSHRMAPK1GAA
SCHEMBL27599654 0.81 P2RX3 (0.41) NOTUMSMN1; SMN2MAPTTSHRMAPK1
SCHEMBL5396690 0.80 AURKA (0.42) NOTUMMAPK1
SCHEMBL14368148 0.80 AURKA (0.58) MAPK10MAPK1
SCHEMBL5403938 0.79 AURKA (0.53) LMNAMAPK1
SCHEMBL5410470 0.74 ADORA1 (0.65) MAPTMAPK10TP53TSHRMAPK1
SCHEMBL5397339 0.74 ADORA1 (0.57) LMNAMAPTMAPK10GAANPSR1

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 LMNA 4102/4885NOTUM 1622/4885SMN1; SMN2 3657/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 LMNA 3326/4885NOTUM 3906/4885SMN1; SMN2 3603/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 LMNA 3326/4885NOTUM 3906/4885SMN1; SMN2 3603/4885

“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.