SCHEMBL8737472

SCHEMBL8737472

COc1ccc(Oc2ccc(C)cn2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 2/20 0.40
NNMT P40261 1/20 0.40
CYP2A6 P11509 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 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
SCHEMBL8736438 0.87 MEN1 (0.53) KDM4EGAAMEN1KMT2ARAB9A
SCHEMBL4598049 0.87 KDM4E (0.56) KDM4EGAAMEN1KMT2ARAB9A
SCHEMBL30172491 0.86
SCHEMBL12602 0.86
SCHEMBL8736739 0.85 KDM4E (0.50) KDM4EGAAMEN1KMT2ARAB9A
SCHEMBL8737052 0.84 KDM4E (0.66) KDM4EGAAMEN1KMT2ARAB9A
SCHEMBL20718225 0.82 KDM4E (0.47) KDM4EGAAMEN1KMT2ARAB9A
SCHEMBL21686324 0.82 KDM4E (0.47) KDM4EGAAMEN1KMT2ARAB9A
SCHEMBL17354612 0.78 KDM4E (0.44) KDM4EGAAMEN1KMT2ARAB9A
SCHEMBL778928 0.78 MEN1 (0.64) KDM4EGAAMEN1KMT2ARAB9A

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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
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-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
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 KDM4E 2362/4885GAA 652/4885MEN1 3545/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 KDM4E 2362/4885GAA 652/4885MEN1 3545/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF KDM4E 1353/4885GAA 3315/4885MEN1 2248/4885

“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.