SCHEMBL163755

SCHEMBL163755

Cn1ccc2c(Cl)nc(Sc3ccc(F)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNN3 Q9UGI6 1/20 0.37
CHRNA7 P36544 1/20 0.36
SRC P12931 7/20 0.33
FLT3 P36888 5/20 0.33
FYN P06241 5/20 0.33
HSP90AA1 P07900 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABL1 P00519 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ALDH1A2 O94788 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH1A3 P47895 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
SCHEMBL163472 0.83 SRC (0.41) MEN1MAPTKMT2ACHRNA7SRC
SCHEMBL165583 0.83 MEN1 (0.36) MEN1MAPTKMT2ACHRNA7SRC
SCHEMBL165952 0.81 SRC (0.37) MEN1MAPTKMT2ACHRNA7SRC
SCHEMBL164363 0.80 SRC (0.38) MEN1MAPTKMT2ACHRNA7SRC
SCHEMBL13798681 0.77 KDM4E (0.36) KMT2ASRCFLT3FYNHSP90AA1
SCHEMBL164362 0.75 GRIN2B (0.41) SRCFLT3FYNABL1
SCHEMBL174249 0.74 ABL1 (0.40) MEN1MAPTKMT2ASRCHSP90AA1
SCHEMBL174444 0.74 KCNN3 (0.40) KCNN3CHRNA7SRCFLT3FYN
SCHEMBL8151262 0.71 HRH4 (0.51) HSP90AA1HRH4DHFR
SCHEMBL164315 0.70 HTR6 (0.37) MAPTKCNN3ALDH1A1

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 MEN1 2341/4885MAPT 2450/4885KMT2A 610/4885

“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.