SCHEMBL174887

SCHEMBL174887

Cn1cc2c(Nc3cc[nH]n3)nc(C(F)(F)c3ccc(F)cc3)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.36
ADORA2A P29274 9/20 0.36
ADORA1 P30542 7/20 0.35
ADORA2B P29275 3/20 0.33
ESYT2 A0FGR8 1/20 0.31
HACL2 A1L0T0 1/20 0.31
NBAS A2RRP1 1/20 0.31
GTPBP10 A4D1E9 1/20 0.31
CNOT1 A5YKK6 1/20 0.31
TBKBP1 A7MCY6 1/20 0.31
AGPS O00116 1/20 0.31
ACOT7 O00154 1/20 0.31
MYO1F O00160 1/20 0.31
SNAP23 O00161 1/20 0.31
HAX1 O00165 1/20 0.31
AIP O00170 1/20 0.31
AP3B1 O00203 1/20 0.31
PSMD11 O00231 1/20 0.31
PSMD12 O00232 1/20 0.31
PSMD9 O00233 1/20 0.31

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
SCHEMBL174494 0.84 PLK4 (0.46) ADORA3PLK4AURKAPAK4NTRK1
SCHEMBL174445 0.77 CCNE2 (0.44) ALDH1A1LMNANTRK1CDK4CCNE1
SCHEMBL174490 0.77 AURKB (0.41) AURKANTRK1LCKCCNE1GRK6
SCHEMBL12105313 0.76 TRPA1 (0.30) TRPA1
SCHEMBL174171 0.76 NTRK1 (0.41) AURKANTRK1AURKB
SCHEMBL175164 0.75 MEN1 (0.38) LCKAURKB
SCHEMBL174795 0.75 FLT3 (0.36) PLK4AURKAPAK4ALDH1A1NTRK1
SCHEMBL164859 0.75 ADORA3 (0.43) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL166125 0.75 ADORA2A (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL173271 0.74 AURKB (0.44) AURKAALDH1A1EGFRNTRK1LCK

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 9 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
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 ADORA3 1302/4885ADORA2A 1933/4885ADORA1 3035/4885

“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.