SCHEMBL13628161

SCHEMBL13628161

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1cc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.43
NPC1 O15118 11/20 0.43
KMT2A Q03164 11/20 0.43
MEN1 O00255 9/20 0.43
MAPT P10636 10/20 0.42
LMNA P02545 5/20 0.42
MAPK1 P28482 4/20 0.42
SMN1; SMN2 Q16637 8/20 0.41
TP53 P04637 6/20 0.41
NPSR1 Q6W5P4 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
POLB P06746 1/20 0.39
HTT P42858 3/20 0.39
USP2 O75604 2/20 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
SCHEMBL13628158 0.91 MAOA (0.42) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL13628167 0.87 GRM1 (0.42) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL13628195 0.87 RPS6KA2 (0.40) RAB9ANPC1NPSR1KDM4EPOLB
SCHEMBL13628302 0.86 RAB9A (0.42) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL13628197 0.86 NPC1 (0.39) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL13628152 0.85 MAPK8 (0.39) RAB9ANPC1LMNASMN1; SMN2NPSR1
SCHEMBL13628306 0.84 ALDH1A1 (0.41) RAB9ANPC1MAPTLMNAMAPK1
SCHEMBL13628304 0.84 RAB9A (0.41) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL13628193 0.84 ALDH1A1 (0.45) RAB9ANPC1KMT2AMAPTNPSR1
SCHEMBL13628269 0.83 PTPRC (0.36) RAB9ANPC1NPSR1KDM4EALDH1A1

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 3486/4885NPC1 1715/4885KMT2A 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.