SCHEMBL174444

SCHEMBL174444

Cn1ccc2c(Nc3cc[nH]n3)nc(Sc3ccc(F)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.40
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
AURKA O14965 10/20 0.36
GSK3B P49841 8/20 0.36
AURKB Q96GD4 8/20 0.36
SRC P12931 11/20 0.36
FYN P06241 3/20 0.35
FLT3 P36888 2/20 0.35
ABL1 P00519 1/20 0.35
CHRNA7 P36544 1/20 0.33
AURKC Q9UQB9 1/20 0.32

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
SCHEMBL15377039 0.77 KCNN3 (0.39) KCNN3JAK2JAK1JAK3
SCHEMBL174796 0.77 KCNN3 (0.39) KCNN3JAK2JAK1JAK3
SCHEMBL255544 0.77 KCNN3 (0.39) KCNN3JAK2JAK1JAK3
SCHEMBL176223 0.75 KCNN3 (0.41) KCNN3JAK2JAK1JAK3ABL1
SCHEMBL163755 0.74 MEN1 (0.38) KCNN3JAK2JAK1JAK3SRC
SCHEMBL12430593 0.65 AURKA (0.73) AURKAGSK3BAURKBSRCAURKC
SCHEMBL174966 0.64 AURKA (0.53) AURKAGSK3BAURKBSRCAURKC
SCHEMBL173477 0.64 HTR6 (0.33) KCNN3SRCFYNFLT3ABL1
SCHEMBL173973 0.64 AURKA (0.59) AURKAGSK3BAURKBSRCAURKC
SCHEMBL174497 0.64 TP53 (0.32) KCNN3SRCFYNFLT3ABL1

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 KCNN3 3369/4885JAK2 2/4885JAK1 3/4885

“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.