SCHEMBL3605826

SCHEMBL3605826

CCOC(=O)c1ccncc1OCc1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
NUDT1 P36639 1/20 0.45
TBXAS1 P24557 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
PPIA P62937 1/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL17150217 0.86 NUDT1 (0.51) TP53TSHRNUDT1TBXAS1NPC1
SCHEMBL4440692 0.81 KDM4C (0.45) NPC1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2563447 0.81 NUDT1 (0.47) TP53TSHRNUDT1TBXAS1NPC1
SCHEMBL28734813 0.80 NUDT1 (0.49) TP53TSHRNUDT1TBXAS1NPC1
SCHEMBL28734595 0.80 NUDT1 (0.49) TP53TSHRNUDT1TBXAS1NPC1
SCHEMBL4724318 0.78 PIK3CA (0.52) TP53HTTMAPTL3MBTL1KDM4E
SCHEMBL3515887 0.76 TSHR (0.60) TP53TSHRNUDT1NPC1RAB9A
SCHEMBL29837473 0.76 TSHR (0.60) TP53TSHRNUDT1NPC1RAB9A
SCHEMBL5422256 0.75 ALDH1A1 (0.43) TP53TSHRNUDT1TBXAS1NPC1
SCHEMBL31307005 0.75 NUDT1 (0.44) TP53TSHRNUDT1TBXAS1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO 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 (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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF TP53 92/4885TSHR 3165/4885NUDT1 2274/4885
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF TP53 167/4885TSHR 2513/4885NUDT1 1704/4885

“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.