SCHEMBL13628198

SCHEMBL13628198

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.36
UCHL3 P15374 1/20 0.36
UCHL1 P09936 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
MAPK8 P45983 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 2/20 0.35
CXCR5 P32302 1/20 0.34

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
SCHEMBL13628304 0.93 RAB9A (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL13628201 0.90 RAB9A (0.38) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL13628193 0.89 ALDH1A1 (0.45) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL13628199 0.88 MAPT (0.40) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL13628302 0.88 RAB9A (0.42) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL13628200 0.87 NPC1 (0.45) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL13628306 0.87 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL13628195 0.86 RPS6KA2 (0.40) RAB9ANPC1KDM4EMAPK8POLB
SCHEMBL13628197 0.86 NPC1 (0.39) KMT2AMEN1RAB9ANPC1MAPK8
SCHEMBL14269960 0.86 UCHL3 (0.43) KMT2AMEN1RAB9ANPC1ALDH1A1

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 KMT2A 3594/4885MEN1 4320/4885RAB9A 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.