SCHEMBL3603944

SCHEMBL3603944

CC(=O)n1ncc2c(N)cc(C)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 2/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
CSNK1A1 P48729 1/20 0.49
GSK3A P49840 1/20 0.49
LIMK1 P53667 1/20 0.49
MAPK14 Q16539 1/20 0.49
TAOK1 Q7L7X3 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
CREBBP Q92793 1/20 0.47
PDGFRA P16234 1/20 0.40
CDK5 Q00535 1/20 0.40
TYRO3 Q06418 1/20 0.40
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3608159 0.83 CHEK1 (0.48) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL11507800 0.82 CREBBP (0.48) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL14272018 0.76 CREBBP (0.75) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL3604733 0.75 CHEK1 (0.50) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL27228033 0.74 ADORA2A (0.39) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL4555720 0.72 CREBBP (0.64) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL3972212 0.70 XDH (0.51) MAPK14KDM4EALDH1A1LMNAGAA
SCHEMBL3910238 0.70 CHEK1 (0.51) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL29344075 0.70 CREBBP (0.49) IKBKECHEK1AURKADAPK3CSNK1A1
SCHEMBL11509831 0.69 TSPO (0.41) MAPT

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 6 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
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

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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF IKBKE 112/4885CHEK1 200/4885AURKA 2181/4885

“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.