SCHEMBL178180

SCHEMBL178180

COc1cc(Nc2nc(S(=O)(=O)c3ccc(F)cc3)cc3ccccc23)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.40
AURKB Q96GD4 8/20 0.40
NTRK1 P04629 3/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
JAK2 O60674 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C8 P10632 3/20 0.37
CYP2C9 P11712 3/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 3/20 0.37
CYP2C19 P33261 3/20 0.37
JAK3 P52333 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
CYP1A2 P05177 1/20 0.37
GRK6 P43250 1/20 0.37
AKR1B1 P15121 1/20 0.37
GSK3B P49841 2/20 0.37

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
SCHEMBL177328 0.86 AURKA (0.52) AURKAAURKBNTRK1JAK2CYP3A4
SCHEMBL173272 0.84 AKR1B1 (0.39) AURKAAURKBNTRK1JAK2CYP3A4
SCHEMBL254830 0.82 AKR1B1 (0.38) AURKAAURKBNTRK1PIK3CDPIK3CA
SCHEMBL174447 0.76 CHEK1 (0.37) PIK3CDPIK3CAPIK3CBPIK3CGAKR1B1
SCHEMBL15366689 0.75 SOD1 (0.48) AURKAAURKBNTRK1AKR1B1GSK3B
SCHEMBL159667 0.75 JAK2 (0.43) AURKANTRK1JAK2JAK1JAK3
SCHEMBL174448 0.74 HTR6 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL165435 0.73 GRK6 (0.39) CYP3A4CYP2C9CYP2C19CYP1A2GRK6
SCHEMBL174204 0.73 AURKA (0.48) AURKAAURKBNTRK1JAK2CYP3A4
SCHEMBL15366464 0.73 JAK2 (0.38) AURKANTRK1PIK3CDPIK3CAPIK3CB

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 10 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 claimed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US claimed
EP-2663553-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORP (US) 2015-08-26 EP disclosed
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
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US 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
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 AURKA 587/4885AURKB 333/4885NTRK1 2263/4885

“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.