SCHEMBL255872

SCHEMBL255872

C[S+]([O-])c1nc(N)c(C(N)=O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
IKBKB O14920 6/20 0.34
LIMK1 P53667 3/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PRKACA P17612 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CHUK O15111 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
BTK Q06187 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 3/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GFER P55789 1/20 0.33
NPC1 O15118 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL23260942 0.78 LMNA (0.57) HPGDALDH1A1HSD17B10GAAMAPT
SCHEMBL9826131 0.75 LMNA (0.34) CCNA2CDK2HPGDALDH1A1MAPT
SCHEMBL12661728 0.71 IKBKB (0.42) CCNA2CDK2IKBKBLIMK1HPGD
SCHEMBL5554779 0.70 ALDH1A1 (0.31) HPGDALDH1A1
SCHEMBL3223932 0.70 CCNA2 (0.42) CCNA2CDK2IKBKBLIMK1HPGD
SCHEMBL9826927 0.68 CLK2 (0.33) IKBKBLIMK1ALDH1A1KDM4EATM
SCHEMBL1477708 0.67 CCNA2 (0.41) CCNA2CDK2IKBKBLIMK1HPGD
SCHEMBL6845033 0.67 CCNA2 (0.41) CCNA2CDK2IKBKBLIMK1PRKACA
SCHEMBL1477709 0.67 CCNA2 (0.41) CCNA2CDK2IKBKBLIMK1ALDH1A1
SCHEMBL11440918 0.67

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
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US 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 CCNA2 1925/4885CDK2 147/4885IKBKB 372/4885

“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.