SCHEMBL3604733

SCHEMBL3604733

CC(=O)n1ncc2c(N)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
CSNK1A1 P48729 1/20 0.50
GSK3A P49840 1/20 0.50
LIMK1 P53667 1/20 0.50
IKBKE Q14164 1/20 0.50
MAPK14 Q16539 1/20 0.50
TAOK1 Q7L7X3 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
CREBBP Q92793 1/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL13318330 0.85 DDB1 (0.41) NPC1RAB9AKMT2AMEN1DDB1
SCHEMBL1857119 0.83 NPC1 (0.45) NPC1RAB9AKMT2AMEN1DDB1
SCHEMBL11509381 0.81 CHEK1 (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL12166332 0.81 CHEK1 (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4215088 0.80 TP53 (0.46) NPC1RAB9AKMT2AELANE
SCHEMBL3707494 0.80 NOTUM (0.53) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL190246 0.80 NPC1 (0.52) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29510728 0.79 MAP2K4 (0.45) NPC1RAB9AKMT2AMEN1DDB1
SCHEMBL1863326 0.79 ELANE (0.46) NPC1RAB9AKMT2AMEN1DDB1
SCHEMBL2478647 0.79 MAP2K4 (0.45) NPC1RAB9AKMT2AMEN1DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 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
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 (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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CHEK1 200/4885AURKA 2181/4885DAPK3 279/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 CHEK1 3699/4885AURKA 4330/4885DAPK3 862/4885

“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.