SCHEMBL4898151

SCHEMBL4898151

COc1ccc(-c2c(C(C)(C)C)n[nH]c2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MAPT P10636 4/20 0.47
DYRK1A Q13627 1/20 0.47
ACHE P22303 5/20 0.46
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
GFER P55789 1/20 0.43
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 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
SCHEMBL20837142 0.86 MAPT (0.46) KDM4EMAPTDYRK1AACHERAB9A
SCHEMBL1012506 0.81 AKT2 (0.47) KDM4EDYRK1AACHERAB9AGAA
SCHEMBL6632491 0.81 MKNK1 (0.40) KDM4EMAPT
SCHEMBL13516427 0.80 MAPT (0.50) KDM4EMAPTDYRK1AACHERAB9A
SCHEMBL28067319 0.80 MAPT (0.50) KDM4EMAPTDYRK1AACHERAB9A
SCHEMBL4009647 0.80 MAPK1 (0.47) KDM4EMAPTMAPK1KMT2ATDP1
SCHEMBL19459337 0.79 KIF11 (0.42) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL8490498 0.76 CCNE2 (0.44) MAPTDYRK1ARAB9AGAANPC1
SCHEMBL15021010 0.75 MAPT (0.45) KDM4EMAPTDYRK1AACHERAB9A
SCHEMBL19926114 0.75 CDK4 (0.53) KDM4EMAPTDYRK1AACHERAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas DUMAS JACQUES 2008-12-04 US disclosed
EP-1648463-A2 COMPOUNDS HAVING INHIBITIVE ACTIVITY OF PHOSPHATIDYLINOSITOL 3-KINASE AND METHODS OF USE THEREOF Zentaris GmbH (DE) 2006-04-26 EP disclosed
WO-2005016245-A2 COMPOUNDS HAVING INHIBITIVE ACTIVITY OF PHOSPHATIDYLINOSITOL 3-KINASE AND METHODS OF USE THEREOF ZENTARIS GMBH (DE) 2005-02-24 WO disclosed
EP-1043995-A4 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2003-05-07 EP disclosed
EP-1056725-A4 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
CN-1283192-A Inhibition of raf kinase using aryl and hetroaryl substituted heterocyclic ureas BAYER AG (US) 2001-02-07 CN disclosed
EP-1056725-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-12-06 EP disclosed
EP-1043995-A1 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-18 EP disclosed
WO-1999032110-A1 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032455-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 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 (1 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-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas MAPK1, MAP3K1, MAP3K2 KDM4E 2669/4885MAPT 976/4885DYRK1A 1333/4885

“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.