SCHEMBL13628273

SCHEMBL13628273

COc1ccc(C(=O)Nc2ccc3c(c2)N(Cc2cc(F)cc4c2OCOC4)C(=O)/C3=N/O)cc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
SMPD1 P17405 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 7/20 0.40
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
POLB P06746 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13910795 0.93 EPHA2 (0.36) MEN1KMT2AKDM4ESMPD1HDAC1
SCHEMBL13637629 0.93 MAPT (0.42) MEN1KMT2AMAPTCPT1ACPT1B
SCHEMBL13637453 0.86 RPS6KA2 (0.42) MEN1KMT2AKDM4EMAPTCASP3
SCHEMBL13628195 0.86 RPS6KA2 (0.40) KDM4EPOLBNPC1RAB9ANPSR1
SCHEMBL13628196 0.86 NPC1 (0.43) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL13628303 0.85 RAB9A (0.42) MEN1KMT2AKDM4EMAPTCASP3
SCHEMBL13628203 0.85 NPC1 (0.43) MEN1KMT2AKDM4EMAPTCASP3
SCHEMBL13628197 0.85 NPC1 (0.39) MEN1KMT2AHDAC1CASP3SENP7
SCHEMBL13628281 0.84 MAPT (0.45) KMT2AKDM4EMAPTPOLBRAB9A
SCHEMBL13628274 0.83 KMT2A (0.37) MEN1KMT2AMAPTCASP3SENP7

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 MEN1 4320/4885KMT2A 3594/4885KDM4E 2171/4885

“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.