SCHEMBL13628303

SCHEMBL13628303

COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
GFER P55789 1/20 0.36
EGFR P00533 1/20 0.36
ALOX12 P18054 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 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
SCHEMBL13628203 0.93 NPC1 (0.43) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL13628196 0.89 NPC1 (0.43) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL13637629 0.89 MAPT (0.42) RAB9AALDH1A1KMT2AMEN1CASP3
SCHEMBL13637453 0.88 RPS6KA2 (0.42) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL13628197 0.88 NPC1 (0.39) RAB9AKMT2AMEN1CASP3SENP7
SCHEMBL13628195 0.88 RPS6KA2 (0.40) RAB9AKDM4ENPSR1NPC1POLB
SCHEMBL13628152 0.87 MAPK8 (0.39) RAB9AKDM4EALDH1A1NPSR1NPC1
SCHEMBL13628155 0.86 KDM4E (0.38) RAB9AKDM4EALDH1A1NPSR1NPC1
SCHEMBL13628302 0.86 RAB9A (0.42) RAB9AKDM4EALDH1A1NPSR1NPC1
SCHEMBL13628206 0.86 TDP1 (0.38) RAB9AKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 RAB9A 3486/4885KDM4E 2171/4885MAPK1 22/4885

“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.