SCHEMBL667593

SCHEMBL667593

c1ccc(-c2ccnc(Oc3nccc(-c4ccccc4)n3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.57
HSP90AA1 P07900 1/20 0.57
PRKACA P17612 1/20 0.57
ADORA2A P29274 1/20 0.57
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 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
SCHEMBL5119715 0.90 MEN1 (0.57) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL2035174 0.84 MEN1 (0.63) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL6406892 0.83 MAPT (0.50) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL6804830 0.82 MEN1 (0.44) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL10264563 0.81 ADORA2A (0.50) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL28110407 0.80 AURKA (0.49) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL6804659 0.79 MEN1 (0.54) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL16579456 0.78 MAPK8 (0.48) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL29620532 0.76 AURKA (0.63) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL190954 0.76 AURKA (0.63) AURKAHSP90AA1PRKACAADORA2AMEN1

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-1999032110-A1 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING 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 AURKA 967/4885HSP90AA1 910/4885PRKACA 78/4885
US-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas MAPK1, MAP3K1, MAP3K2 AURKA 1103/4885HSP90AA1 857/4885PRKACA 72/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 AURKA 967/4885HSP90AA1 910/4885PRKACA 78/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF AURKA 280/4885HSP90AA1 896/4885PRKACA 12/4885
US-20080009527-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF AURKA 253/4885HSP90AA1 946/4885PRKACA 29/4885

“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.