SCHEMBL164767

SCHEMBL164767

N#Cc1nc2cncnc2s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.38
KDR P35968 1/20 0.33
RPS6KA5 O75582 1/20 0.32
RPS6KA4 O75676 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGFR P00533 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
SCHEMBL2247852 0.71 ALDH1A1 (0.39) KDM4EALDH1A1GAAEGFR
SCHEMBL5958154 0.71 EGFR (0.33) EGFR
SCHEMBL30858956 0.71 EGFR (0.37) ALDH1A1GAAL3MBTL1EGFR
SCHEMBL3235816 0.71 EGFR (0.33) EGFR
SCHEMBL17926571 0.71 EGFR (0.33) EGFR
SCHEMBL9072335 0.71 EGFR (0.37) ALDH1A1GAAL3MBTL1EGFR
SCHEMBL19957964 0.70 EGFR (0.39) KDM4EALDH1A1LMNAEGFR
Hydrochloric Acid SCHEMBL31194800 0.69 EGFR (0.36) ALDH1A1GAAL3MBTL1EGFR
Hydrochloric Acid SCHEMBL31194830 0.69 EGFR (0.38) LMNAEGFR
SCHEMBL1924456 0.67 EIF4E (0.38) RPS6KA5RPS6KA4KDM4EALDH1A1LMNA

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 PSMB8 4377/4885KDR 933/4885RPS6KA5 592/4885

“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.