SCHEMBL1462948

SCHEMBL1462948

Oc1ncnc2c(Br)cc(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
PRNP P04156 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
PPARG P37231 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 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
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL30975255 0.81 CDK8 (0.35) MAPTKDM4EALDH1A1MAPK1
SCHEMBL12068468 0.78 MAP4K4 (0.42) HTTMAPTLMNAPRNPALOX15
SCHEMBL12069197 0.78 ALDH1A1 (0.44) HTTMAPTLMNAPRNPALOX15
SCHEMBL1460971 0.78 NQO2 (0.35) HTTMAPTLMNAPRNPALOX15
SCHEMBL22259178 0.74 EGLN1 (0.33)
SCHEMBL1461865 0.74 KEAP1 (0.36) KDM4EMEN1KMT2AALDH1A1
SCHEMBL31284109 0.71 NQO2 (0.30)
SCHEMBL22258816 0.71 NQO2 (0.30)
SCHEMBL19762910 0.71 NQO2 (0.47) HTTMAPTLMNAALOX15KDM4E
SCHEMBL21456827 0.70 EGFR (0.37) MAPTLMNAEGFR

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 HTT 4587/4885MAPT 1082/4885LMNA 1525/4885

“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.