SCHEMBL8737477

SCHEMBL8737477

Cc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 9/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
THRB P10828 1/20 0.51
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
IDO1 P14902 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL11391846 0.90 LIPE (0.67) LIPELMNAMAPTNPSR1THRB
SCHEMBL20466546 0.85 RAB9A (0.69) LIPELMNAMAPTNPSR1RAB9A
SCHEMBL11351938 0.84 MAPT (0.69) LIPELMNAMAPTNPSR1THRB
SCHEMBL8463930 0.84 KDM4E (0.51) LIPELMNAMAPTNPSR1THRB
SCHEMBL8737052 0.84 KDM4E (0.66) LIPEMAPTNPSR1RAB9AKDM4E
SCHEMBL16838765 0.83 LMNA (0.59) LIPELMNAMAPTNPSR1THRB
SCHEMBL24690163 0.83 NOS1 (0.43) LIPELMNAMAPTTHRBMAPK1
SCHEMBL778928 0.81 MEN1 (0.64) RAB9AKDM4EPOLBMEN1KMT2A
SCHEMBL6305053 0.80 KDM4E (0.71) LIPELMNAMAPTNPSR1THRB
SCHEMBL21652204 0.80 RAB9A (0.67) LIPELMNAMAPTNPSR1THRB

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 LIPE 3630/4885LMNA 3637/4885MAPT 3056/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF LIPE 3630/4885LMNA 3637/4885MAPT 3056/4885

“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.