SCHEMBL4724318

SCHEMBL4724318

CCOC(=O)c1ccncc1OCc1nccc(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.52
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
MAPT P10636 7/20 0.42
GAA P10253 6/20 0.42
TP53 P04637 3/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 3/20 0.42
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DYRK1A Q13627 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.41
MC4R P32245 2/20 0.41

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
SCHEMBL3605826 0.78 TP53 (0.45) KDM4EPOLBMAPTTP53MAPK1
SCHEMBL17150217 0.72 NUDT1 (0.51) MAPTTP53MAPK1SMN1; SMN2LMNA
SCHEMBL4722662 0.71 SORD (0.50) PIK3CAALOX15USP2HSD17B10L3MBTL1
SCHEMBL14553999 0.70 SORD (0.54) PIK3CAALOX15KDM4EMAPTGAA
SCHEMBL24532518 0.68 MAPT (0.60) PIK3CAKDM4EPOLBMAPTGAA
SCHEMBL18208233 0.68 SMPD3 (0.55) PIK3CAALOX15KDM4EPOLBADORA3
SCHEMBL29681520 0.68 MAPT (0.60) PIK3CAKDM4EPOLBMAPTGAA
SCHEMBL2563447 0.68 NUDT1 (0.47) KDM4EMAPTGAATP53MAPK1
SCHEMBL5422256 0.68 ALDH1A1 (0.43) TP53PKMSMN1; SMN2
SCHEMBL14554006 0.68 SORD (0.51) PIK3CAALOX15USP2HSD17B10MEN1

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
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF PIK3CA 234/4885ALOX15 3523/4885KDM4E 3956/4885

“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.