SCHEMBL4722564

SCHEMBL4722564

O=C(O)Nc1c(-c2cccnc2)sc2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.50
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
NAMPT P43490 1/20 0.40
ATAD2 Q6PL18 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
SCHEMBL4765913 0.82 NAMPT (0.47) BRAFRAB9AGAANAMPTATAD2
SCHEMBL4765975 0.80 KDM4E (0.46) NPC1RAB9ALMNAGAACNR1
SCHEMBL4722119 0.76 KDM4E (0.43) BRAFNPC1RAB9ALMNAGAA
SCHEMBL4722536 0.73 CYP2A6 (0.47) BRAFMKNK1MKNK2NPC1RAB9A
SCHEMBL4724798 0.72 ALDH1A1 (0.48) BRAFNPC1RAB9ALMNAGAA
SCHEMBL4764861 0.69 BRAF (0.69) BRAFNPC1RAB9ACYP3A4CYP1A2
SCHEMBL9868855 0.68 ALOX5 (0.45) BRAFGAAKDM4EALDH1A1HPGD
SCHEMBL19974300 0.68 KDR (0.60) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL4791530 0.68 ALDH1A1 (0.49) BRAFNPC1RAB9ALMNAGAA
SCHEMBL4722428 0.67 KDM4E (0.48) RAB9ALMNAGAAKDM4EALDH1A1

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 BRAF 1/4885MKNK1 152/4885MKNK2 290/4885

“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.