SCHEMBL8736571

SCHEMBL8736571

CSc1ccc(Oc2ccc(C)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HTT P42858 2/20 0.38
SLC6A4 P31645 8/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
BCAT2 O15382 1/20 0.37
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
P2RX3 P56373 2/20 0.33

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
SCHEMBL10134383 0.81 MEN1 (0.83) MEN1KMT2AHTTBCAT2TSHR
SCHEMBL753246 0.78 MEN1 (0.59) MEN1KMT2AHTTCYP1A2BCAT2
SCHEMBL4797268 0.78 MEN1 (0.59) MEN1KMT2AHTTCYP1A2BCAT2
SCHEMBL851116 0.78 MEN1 (0.59) MEN1KMT2AHTTSLC6A4BCAT2
SCHEMBL4797272 0.78 MEN1 (0.59) MEN1KMT2ABCAT2TSHRNPC1
SCHEMBL753331 0.77 BCAT2 (0.60) MEN1KMT2AHTTCYP1A2BCAT2
SCHEMBL20176871 0.76 MEN1 (0.55) MEN1KMT2AHTTCYP1A2BCAT2
SCHEMBL4050755 0.74 MEN1 (0.53) MEN1KMT2ASLC6A4BCAT2KCNH2
SCHEMBL8736740 0.74 KDM4E (0.51) MEN1KMT2AHTTSLC6A4HRH3
SCHEMBL2774995 0.73 CYP1A1 (0.52) MEN1KMT2ASLC6A4HRH3CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US 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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF MEN1 2248/4885KMT2A 1462/4885HTT 3520/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF MEN1 2248/4885KMT2A 1462/4885HTT 3520/4885

“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.