SCHEMBL668407

SCHEMBL668407

c1ccc(-c2ccc3ccccc3c2Oc2c(-c3ccccn3)ccc3ccccc23)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 5/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 4/20 0.45
HPGD P15428 4/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 4/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
CYP1A2 P05177 2/20 0.43
POLB P06746 2/20 0.43
METAP1 P53582 2/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL21274321 0.82 KDM4E (0.50) KDM4ESMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL29177755 0.77 HPRT1 (0.50) KDM4ESMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL5610239 0.77 KDM4E (0.46) KDM4ESMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL13319551 0.77 KDM4E (0.46) KDM4ESMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL9642034 0.77 CYP1A2 (0.47) KDM4ESMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL27532865 0.77 KDM4E (0.46) KDM4ESMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL8897958 0.77 KDM4E (0.50) KDM4ESMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL26259950 0.77 KDM4E (0.65) KDM4ESMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL31612679 0.76 KDM4E (0.55) KDM4ESMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL668117 0.76 KDM4E (0.45) KDM4ESMN1; SMN2TP53ALDH1A1NPC1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056725-B1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-07 EP claimed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP disclosed
US-7625915-B2 Inhibition of RAF kinase using aryl and heteroaryl substituted heterocyclic ureas BAYER HEALTHCARE LLC (US) 2009-12-01 US disclosed
US-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas DUMAS JACQUES 2008-12-04 US disclosed
EP-1043995-B9 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2008-10-08 EP disclosed
US-7329670-B1 Inhibition of RAF kinase using aryl and heteroaryl substituted heterocyclic ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-02-12 US disclosed
US-20080009527-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2008-01-10 US disclosed
EP-1056725-A4 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1056725-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-12-06 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 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
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO 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
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING 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 (5 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 KDM4E 2362/4885SMN1; SMN2 3445/4885TP53 276/4885
US-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas MAPK1, MAP3K1, MAP3K2 KDM4E 2669/4885SMN1; SMN2 3553/4885TP53 507/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 KDM4E 2362/4885SMN1; SMN2 3445/4885TP53 276/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF KDM4E 1353/4885SMN1; SMN2 4560/4885TP53 60/4885
US-20080009527-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF KDM4E 1275/4885SMN1; SMN2 4638/4885TP53 126/4885

“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.