SCHEMBL165550

SCHEMBL165550

Cc1cc(Nc2nc(C(=O)c3ccc(F)cc3)cc3ccccc23)nn1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
GRM2 Q14416 1/20 0.34
ABCB1 P08183 1/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
XIAP P98170 1/20 0.33
ELANE P08246 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CTNNB1 P35222 1/20 0.33

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
SCHEMBL163607 0.87 MAPT (0.43) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL164233 0.82 MAPT (0.34) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL166680 0.82 NR1H2 (0.38) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL18297014 0.74 MAPT (0.39) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL173382 0.74 AURKA (0.59) AURKAAURKBCYP1A2CYP2C19
SCHEMBL16356864 0.69 EGFR (0.40) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL6351483 0.69 NPC1 (0.46) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL18297104 0.69 CNR2 (0.43) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL4303619 0.68 MAPT (0.54) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL6351335 0.67 KDM4E (0.47) MAPTMEN1KMT2ATP53KDM4E

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.