SCHEMBL1460971

SCHEMBL1460971

Cc1cc(Br)c2ncnc(O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.35
HTT P42858 4/20 0.35
PRNP P04156 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
PPARG P37231 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
NR2E3 Q9Y5X4 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
NCOA2 Q15596 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL855619 0.78 KDM4E (0.44) HTTPRNPNPSR1PPARGRXFP1
SCHEMBL1462948 0.78 HTT (0.34) HTTPRNPNPSR1PPARGRXFP1
SCHEMBL27046488 0.76 ACHE (0.41) HTTMAPTKDM4EMEN1HSP90AA1
SCHEMBL5754888 0.74 PRNP (0.40) NQO2HTTPRNPNPSR1PPARG
SCHEMBL12826337 0.74 RPS6KB1 (0.32)
SCHEMBL1460911 0.74 DHODH (0.42) KDM4ECSNK2A1
SCHEMBL5756098 0.71 PRNP (0.39) NQO2HTTPRNPNPSR1PPARG
SCHEMBL19762910 0.71 NQO2 (0.47) NQO2HTTLMNAMAPTALOX15
SCHEMBL14574726 0.69 KDM4E (0.31) HTTKDM4EMEN1USP2TP53
SCHEMBL2158991 0.69 KDM4E (0.42) NQO2HTTNPSR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
EP-2493865-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-09-05 EP disclosed
WO-2011025938-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO 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 (1 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-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF NQO2 726/4885HTT 4587/4885PRNP 2645/4885

“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.