SCHEMBL13628279

SCHEMBL13628279

CCC(C(=O)Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N/O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 6/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
NCOR2 Q9Y618 4/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36

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
SCHEMBL13628208 0.89 KDM4E (0.38) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL13628275 0.89 NPC1 (0.35) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13628308 0.86 MAPK8 (0.39) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13628152 0.86 MAPK8 (0.39) LMNAALDH1A1POLBSMN1; SMN2CYP1A2
SCHEMBL13628195 0.86 RPS6KA2 (0.40) POLBNPC1RAB9ANPSR1
SCHEMBL13628059 0.85 MAPK8 (0.38) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL13628309 0.84 LMNA (0.38) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL13628155 0.83 KDM4E (0.38) LMNAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL13628206 0.83 TDP1 (0.38) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13628197 0.83 NPC1 (0.39) MEN1KMT2APOLBSMN1; SMN2NPC1

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 KCNQ2 4223/4885MEN1 4320/4885KMT2A 3594/4885

“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.