SCHEMBL8736739

SCHEMBL8736739

Cc1ccc(Oc2ccc(C)nc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MAP4K4 O95819 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.45
HTR2C P28335 1/20 0.43
GRM5 P41594 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
PDE10A Q9Y233 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8737472 0.85 KDM4E (0.50) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL8737052 0.84 KDM4E (0.66) KDM4EMAP4K4MEN1KMT2ARAB9A
SCHEMBL20718225 0.82 KDM4E (0.47) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL21686324 0.82 KDM4E (0.47) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL4228644 0.82 KDM4E (0.60) KDM4EMAP4K4MEN1KMT2ARAB9A
SCHEMBL8737063 0.80 TEAD4 (0.50) KDM4EMAP4K4MEN1KMT2ARAB9A
SCHEMBL13657731 0.80 RAB9A (0.56) KDM4EMAP4K4RAB9AHTR2CALDH1A1
SCHEMBL13661727 0.80 MAP4K4 (0.45) KDM4EMAP4K4KMT2ARAB9ANPC1
SCHEMBL4598049 0.79 KDM4E (0.56) KDM4EMAP4K4MEN1KMT2ARAB9A
SCHEMBL8736798 0.79 LMNA (0.60) KDM4EMAP4K4KMT2ARAB9ANPC1

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 6 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-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 KDM4E 1353/4885MAP4K4 44/4885MEN1 2248/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF KDM4E 1353/4885MAP4K4 44/4885MEN1 2248/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 KDM4E 1268/4885MAP4K4 83/4885MEN1 3509/4885

“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.