SCHEMBL163607

SCHEMBL163607

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 3/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AURKA O14965 2/20 0.37
AURKB Q96GD4 1/20 0.37
ENPP3 O14638 1/20 0.37
ALPL P05186 1/20 0.37
XIAP P98170 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL165550 0.87 MAPT (0.37) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL173382 0.78 AURKA (0.59) AURKAAURKBCYP1A2CYP2C19CYP3A4
SCHEMBL163288 0.69 NPC1 (0.44) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL166680 0.68 NR1H2 (0.38) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL163228 0.64 AURKA (0.60) ALDH1A1AURKAAURKBCYP1A2CYP2C19
SCHEMBL164886 0.63 ALDH1A1 (0.55) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL173501 0.62 AURKA (0.88) AURKAAURKBCYP1A2CYP2C19CYP3A4
SCHEMBL4175934 0.62 BRAF (0.50) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL24622212 0.62 PDE5A (0.62) MAPTMEN1KMT2ATP53KDM4E
SCHEMBL3128329 0.62 TRPM8 (0.48) MEN1KMT2AKDM4EHTTNPC1

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.