SCHEMBL13637453

SCHEMBL13637453

COc1ccc(C(=O)Nc2ccc3c(c2)N(Cc2cc(F)cc4c2OCOC4)C(=O)/C3=N\O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ROCK2 O75116 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL13628197 0.92 NPC1 (0.39) ROCK2SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13628196 0.92 NPC1 (0.43) RPS6KA2MAPTALDH1A1HPGDKDM4E
SCHEMBL13637629 0.92 MAPT (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13628195 0.91 RPS6KA2 (0.40) RPS6KA2KDM4EROCK2NPC1RAB9A
SCHEMBL13628203 0.88 NPC1 (0.43) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13628303 0.88 RAB9A (0.42) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13628207 0.88 MEN1 (0.41) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL13628077 0.88 TSHR (0.38) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL13628200 0.87 NPC1 (0.45) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13628022 0.87 MEN1 (0.43) RPS6KA2MAPTALDH1A1HPGDKDM4E

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 2 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-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 RPS6KA2 374/4885MAPT 1666/4885ALDH1A1 4310/4885

“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.