SCHEMBL164233

SCHEMBL164233

Cc1cc(Nc2nc([S+]([O-])c3ccc(F)cc3)cc3ccccc23)nn1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM2 Q14416 1/20 0.31
AURKA O14965 2/20 0.31
AURKB Q96GD4 1/20 0.31
ABCB1 P08183 1/20 0.31
BRD4 O60885 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL166680 0.82 NR1H2 (0.38) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL165550 0.82 MAPT (0.37) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL178147 0.74 GCK (0.37) AURKAAURKB
SCHEMBL255633 0.72 NTRK1 (0.52) CYP1A2CYP2C19AURKAAURKB
SCHEMBL15367101 0.70 ABCG2 (0.38) MAPTMEN1KMT2AABCG2ABCB1
SCHEMBL162047 0.69 CCR4 (0.36) MAPTMEN1KMT2AALOX15CYP1A2
SCHEMBL15366826 0.69 CCR4 (0.36) MAPTMEN1KMT2AALOX15CYP1A2
SCHEMBL163607 0.68 MAPT (0.43) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL16356864 0.68 EGFR (0.40) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL159775 0.68 GSK3A (0.49) MAPTMEN1KMT2AAURKAAURKB

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
EP-2663553-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORP (US) 2015-08-26 EP disclosed
EP-2663553-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-11-20 EP disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US disclosed
WO-2012030944-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO 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-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS JAK3, JAK2, JAK1 MAPT 2220/4885MEN1 3176/4885KMT2A 733/4885

“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.