SCHEMBL5410667

SCHEMBL5410667

O=C(O)c1cc(-c2nc(Nc3ccccc3)ncc2C2CCCCC2)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK1 Q8N5S9 3/20 0.52
CAMKK2 Q96RR4 3/20 0.52
AURKA O14965 9/20 0.49
CDK2 P24941 8/20 0.49
MAPK1 P28482 2/20 0.49
IGF1R P08069 1/20 0.41
CDK4 P11802 5/20 0.41
CCND1 P24385 5/20 0.41
CCNA2 P20248 1/20 0.41
PLK1 P53350 1/20 0.41
CCNA1 P78396 1/20 0.41
CCND2 P30279 2/20 0.40
CCND3 P30281 2/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
SYK P43405 1/20 0.40
SGK1 O00141 1/20 0.40
SGK3 Q96BR1 1/20 0.40
SGK2 Q9HBY8 1/20 0.40

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
SCHEMBL5407573 0.95 AURKA (0.51) CAMKK1CAMKK2AURKACDK2MAPK1
SCHEMBL2787595 0.81 AURKA (0.69) AURKACDK2MAPK1
SCHEMBL5395561 0.79 AURKA (0.56) AURKACDK2MAPK1
SCHEMBL27582157 0.78 AURKA (0.53) CAMKK2AURKACDK2MAPK1CDK4
SCHEMBL16893011 0.77 AURKA (0.55) CAMKK1CAMKK2AURKACDK2MAPK1
SCHEMBL5407262 0.76 AURKA (0.51) AURKACDK2MAPK1CCNA2PLK1
SCHEMBL5403938 0.76 AURKA (0.53) AURKACDK2MAPK1IGF1RCDK4
Propionamide SCHEMBL27582122 0.75 AURKA (0.64) AURKACDK2MAPK1
SCHEMBL5393708 0.73 AURKA (0.59) AURKACDK2MAPK1
SCHEMBL4796151 0.72 CAMK2D (0.47) CAMKK2AURKACDK2MAPK1

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 14 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
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 CAMKK1 576/4885CAMKK2 571/4885AURKA 3692/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 CAMKK1 259/4885CAMKK2 411/4885AURKA 1989/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 CAMKK1 259/4885CAMKK2 411/4885AURKA 1989/4885

“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.