SCHEMBL164363

SCHEMBL164363

COCCn1ccc2c(Cl)nc(Sc3ccc(F)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.38
FLT3 P36888 5/20 0.38
FYN P06241 5/20 0.38
ABL1 P00519 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 1/20 0.35
HSP90AA1 P07900 2/20 0.34
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CHRNA7 P36544 1/20 0.32
TP53 P04637 1/20 0.32
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL165952 0.85 SRC (0.37) SRCFLT3FYNABL1HDAC1
SCHEMBL163472 0.84 SRC (0.41) SRCFLT3FYNABL1HDAC1
SCHEMBL164925 0.82 SRC (0.37) SRCFLT3FYNABL1HDAC1
SCHEMBL163755 0.80 MEN1 (0.38) SRCFLT3FYNABL1HSP90AA1
SCHEMBL164362 0.77 GRIN2B (0.41) SRCFLT3FYNABL1HDAC1
SCHEMBL15600306 0.76 HDAC1 (0.42) HDAC1HDAC2HSP90AA1HDAC4HDAC6
SCHEMBL165652 0.76 HTR6 (0.35) SRCFLT3FYNHDAC1HDAC2
SCHEMBL165583 0.75 MEN1 (0.36) SRCFLT3FYNABL1MEN1
SCHEMBL174249 0.69 ABL1 (0.40) SRCABL1HSP90AA1MEN1MAPT
SCHEMBL7024298 0.68 FGFR1 (0.38) ABL1MEN1MAPTKMT2ALMNA

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 SRC 98/4885FLT3 16/4885FYN 270/4885

“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.