SCHEMBL13409169

SCHEMBL13409169

Cc1nn(S)c2cc(N)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
ALDH1A1 P00352 8/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
KDM4E B2RXH2 8/20 0.34
MAPT P10636 6/20 0.34
CASP1 P29466 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
IMPDH2 P12268 1/20 0.34
NSD2 O96028 1/20 0.33

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
SCHEMBL3340760 0.79 ADORA2A (0.59) DDB1CRBNALDH1A1ADORA2AADORA2B
SCHEMBL14910374 0.75 ADORA2A (0.62) ALDH1A1ADORA2AADORA2BKDM4EMAPT
SCHEMBL14928200 0.73 ADORA2A (0.65) DDB1CRBNALDH1A1ADORA2AADORA2B
SCHEMBL3376840 0.73 ADORA2A (0.47) DDB1CRBNALDH1A1ADORA2AADORA2B
SCHEMBL3699843 0.73 ELANE (0.41) DDB1CRBNMAPTNPC1RAB9A
SCHEMBL2546794 0.73 KHK (0.58) NPC1RAB9ASMN1; SMN2CA9
Hydrochloric Acid SCHEMBL2543458 0.71 KHK (0.57) NPC1RAB9ASMN1; SMN2CA9
SCHEMBL14909859 0.70 ADORA2A (0.40) ADORA2AADORA2B
SCHEMBL14909654 0.69 ADORA2A (0.44) ALDH1A1ADORA2AADORA2BKDM4EMAPT
SCHEMBL30860430 0.69 ADORA2A (0.44) ALDH1A1ADORA2AADORA2BKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US 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-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 DDB1 1896/4885CRBN 1475/4885ALDH1A1 1694/4885

“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.