SCHEMBL173313

SCHEMBL173313

Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3nn(C)cc23)n[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.67
JAK3 P52333 6/20 0.67
CYP3A4 P08684 3/20 0.67
CYP2C8 P10632 3/20 0.67
CYP2C9 P11712 3/20 0.67
JAK1 P23458 3/20 0.67
TYK2 P29597 3/20 0.67
CYP2C19 P33261 3/20 0.67
ADORA3 P0DMS8 2/20 0.67
CYP1A2 P05177 1/20 0.67
NTRK1 P04629 3/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
AURKA O14965 6/20 0.44
SYK P43405 2/20 0.44
PLK4 O00444 1/20 0.44
PAK4 O96013 1/20 0.44
AURKB Q96GD4 5/20 0.43
SRC P12931 1/20 0.40
EIF2AK2 P19525 1/20 0.40

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
SCHEMBL15377041 1.00 JAK2 (0.67) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL15377043 1.00 JAK2 (0.67) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL255909 0.89 JAK2 (0.52) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL255488 0.81 JAK2 (0.82) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL720853 0.81 JAK2 (0.82) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174394 0.81 JAK2 (0.82) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL187455 0.81 JAK2 (0.82) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL255907 0.81 JAK2 (0.82) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174367 0.81 JAK2 (0.82) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174366 0.81 JAK2 (0.82) JAK2JAK3CYP3A4CYP2C8CYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US claimed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP claimed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO claimed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 JAK2 2/4885JAK3 1/4885CYP3A4 786/4885

“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.