SCHEMBL174598

SCHEMBL174598

NC(=O)c1cnn(CCCl)c1N

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
RIPK2 O43353 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 4/20 0.32
MAPK11 Q15759 1/20 0.32
MAP2K1 Q02750 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 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
SCHEMBL5499546 0.86 TSHR (0.56) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL2862025 0.84 TSHR (0.55) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL27472808 0.81 TSHR (0.52) TSHRRIPK2LMNANPC1MAPK14
SCHEMBL2078386 0.80 TSHR (0.51) TSHRMAPK14
SCHEMBL17604081 0.80 TSHR (0.51) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL1717058 0.80 TSHR (0.58) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL174541 0.77 TSHR (0.76) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL2076997 0.76 TSHR (0.54) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL1717082 0.76 TSHR (0.54) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL2077100 0.76 TSHR (0.54) TSHRRIPK2ALDH1A1LMNANPC1

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 TSHR 2618/4885RIPK2 132/4885ALDH1A1 3689/4885

“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.