SCHEMBL4905628

SCHEMBL4905628

N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.56
HSD17B10 Q99714 4/20 0.56
ADRA2A P08913 2/20 0.56
HTT P42858 1/20 0.56
ADORA1 P30542 5/20 0.55
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
LMNA P02545 1/20 0.50
CDK5 Q00535 1/20 0.50
DYRK1A Q13627 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MEN1 O00255 1/20 0.48
PIM1 P11309 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL27886223 0.82 ADORA2A (0.51) ADORA2AHSD17B10ADRA2AHTTADORA1
SCHEMBL27886231 0.82 ADORA2A (0.51) ADORA2AHSD17B10ADRA2AHTTADORA1
SCHEMBL7011406 0.80 ADORA2A (0.70) ADORA2AHSD17B10ADRA2AHTTADORA1
SCHEMBL17971419 0.80 ADORA2A (0.53) ADORA2AHSD17B10ADRA2AHTTADORA1
SCHEMBL7219735 0.78 GRM5 (0.51) ADORA2AHSD17B10HTTADORA1KDM4E
SCHEMBL23579403 0.77 USP7 (0.49) ADORA2AADORA1KDM4ESMN1; SMN2LMNA
SCHEMBL13202793 0.76 ADORA2A (0.49) ADORA2AHSD17B10ADRA2AHTTADORA1
SCHEMBL3205196 0.76 ALDH1A1 (0.59) ADORA2AHSD17B10ADORA1KDM4EALDH1A1
SCHEMBL16740138 0.75 ADORA2A (0.48) ADORA2AHSD17B10ADRA2AHTTADORA1
SCHEMBL3544893 0.75 ADORA2A (0.62) ADORA2AHSD17B10ADRA2AHTTADORA1

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
CN-109020883-B 3-cyano-2-aminopyridine derivative and preparation method and application thereof 广西民族大学 2022-02-08 CN disclosed
US-20080139608-A1 2,6,8, Trisubstituted 1-deazapurines and their different uses UNIVERSITEIT LEIDEN (NL) 2008-06-12 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-20080139608-A1 2,6,8, Trisubstituted 1-deazapurines and their different uses TPMT, NAT1, MTAP ADORA2A 142/4885HSD17B10 645/4885ADRA2A 2210/4885

“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.