SCHEMBL4565046

SCHEMBL4565046

CCCCCc1occc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
CA2 P00918 1/20 0.38
SKP2 Q13309 1/20 0.35
FBP1 P09467 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KCNH2 Q12809 2/20 0.34
LMNA P02545 2/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSPD1 P10809 1/20 0.34

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
SCHEMBL27823063 0.78 LIPG (0.40) HTR2ACA2KDM4EALDH1A1ESR1
SCHEMBL3919456 0.78 ALDH1A1 (0.36) HTR2ACA2KDM4EALDH1A1ESR1
SCHEMBL4722781 0.76
SCHEMBL3312949 0.76 PTGS2 (0.42) CA2KDM4EALDH1A1ESR1ADRA2A
SCHEMBL28522920 0.76 LIPG (0.43) HTR2AKDM4EALDH1A1ESR1ADRA2A
SCHEMBL10652440 0.74 PTGS2 (0.46) KDM4EALDH1A1ESR1ADRA2AADORA3
SCHEMBL18825694 0.74 LIPG (0.38) HTR2ACA2KDM4EALDH1A1ESR1
SCHEMBL23616887 0.72
SCHEMBL16844660 0.72 LIPG (0.39) HTR2AKDM4EALDH1A1ESR1ADRA2A
SCHEMBL26972082 0.72 HSD11B1 (0.35) HTR2ACA2KDM4EALDH1A1ESR1

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
CN-106008665-B Compound with tumor proliferation inhibition function and preparation method and application thereof 北京大学 2021-03-16 CN 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-1043995-B1 INHIBITION OF p38 KINASE ACTIVITY USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-11-29 EP disclosed
EP-1056725-B1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-07 EP 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
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 (2 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 HTR2A 3827/4885CA2 4263/4885SKP2 648/4885
US-20080009527-A1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF HTR2A 4212/4885CA2 4323/4885SKP2 443/4885

“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.