SCHEMBL13628002

SCHEMBL13628002

Cc1cc(Cl)cc2c1N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK8 P45983 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CXCR5 P32302 1/20 0.32

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
SCHEMBL13627994 0.91 GALR3 (0.36) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL14269960 0.84 UCHL3 (0.43) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL13628134 0.82 TSHR (0.40) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL14269986 0.80 POLB (0.39) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL13628092 0.80 GALR3 (0.39) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL13628063 0.80 POLB (0.38) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL13627978 0.79 MAPK8 (0.40) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL13627961 0.79 MAPK8 (0.40) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL21067347 0.79 MAPK8 (0.40) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL13628244 0.79 NPC1 (0.38) TSHRNPC1RAB9APOLBNPSR1

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 TSHR 4286/4885NPC1 1715/4885RAB9A 3486/4885

“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.