SCHEMBL8736775

SCHEMBL8736775

Cc1ccc(Oc2ccncc2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39
LRRK2 Q5S007 1/20 0.39
RECQL P46063 1/20 0.39
HTR1A P08908 1/20 0.38
HTR3A P46098 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL28452075 0.86 SLC6A4 (0.45) GAAKMT2AL3MBTL1EGLN1HTR1A
SCHEMBL14021979 0.85 KMT2A (0.44) KMT2ASMN1; SMN2ACHE
SCHEMBL446449 0.84 AR (0.47) GAAKMT2AL3MBTL1HTR1AHTR3A
SCHEMBL30354890 0.81 ALDH1A1 (0.42) KMT2ASMN1; SMN2LRRK2
SCHEMBL4797567 0.81 ALDH1A1 (0.42) KMT2ASMN1; SMN2LRRK2
SCHEMBL2029286 0.81 ALDH1A1 (0.53) GAARAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL4797564 0.81 LRRK2 (0.38) GAANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8484975 0.80 NTRK1 (0.48) GAASMN1; SMN2HTR1AHTR3A
SCHEMBL14021916 0.79 ALDH1A1 (0.55) GAAKMT2ASMN1; SMN2
SCHEMBL4950654 0.79 HTR1A (0.50) GAANPC1RAB9AKMT2ANFKB1

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 8 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-7501512-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-03-10 US disclosed
US-7501512-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-03-10 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 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 (3 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 GAA 3315/4885NPC1 3232/4885RAB9A 1346/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF GAA 3315/4885NPC1 3232/4885RAB9A 1346/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 GAA 3305/4885NPC1 2562/4885RAB9A 1536/4885

“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.