SCHEMBL174249

SCHEMBL174249

CCn1ncc2c(Cl)nc(Sc3ccc(F)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.40
SRC P12931 11/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HSP90AA1 P07900 2/20 0.38
TRAP1 Q12931 2/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.34
XDH P47989 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL174312 0.85 SRC (0.38) ABL1SRCADORA3ADORA2AADORA1
SCHEMBL163472 0.79 SRC (0.41) ABL1SRCHSP90AA1MAPTMEN1
SCHEMBL2241487 0.78 SRC (0.46) ABL1SRCADORA3ADORA2AADORA1
SCHEMBL174749 0.74 AURKA (0.53) SRC
SCHEMBL163755 0.74 MEN1 (0.38) ABL1SRCHSP90AA1MAPTMEN1
SCHEMBL174845 0.73 HSP90AA1 (0.37) ABL1SRCADORA3ADORA2AADORA1
SCHEMBL2189832 0.72 ADORA3 (0.43) ADORA3ADORA2AADORA1HSP90AA1TRAP1
SCHEMBL16576325 0.71 PDE4B (0.36) MAPTMEN1KMT2APDE4BALDH1A1
SCHEMBL165583 0.71 MEN1 (0.36) ABL1SRCADORA2AADORA1MAPT
SCHEMBL20250861 0.70 ALDH1A1 (0.42) ADORA3ADORA2AADORA1HSP90AA1TRAP1

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 3 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 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 ABL1 5/4885SRC 98/4885ADORA3 1302/4885

“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.