SCHEMBL2492563

SCHEMBL2492563

Nc1ncc(N)c(-c2cccnc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
PTK2 Q05397 1/20 0.57
ADORA2A P29274 5/20 0.53
ADORA1 P30542 3/20 0.53
CYP2A6 P11509 5/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
AXL P30530 2/20 0.44
MEN1 O00255 1/20 0.44
PSIP1 O75475 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NQO2 P16083 2/20 0.43

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
SCHEMBL5792144 0.83 ADORA2A (0.48) HSP90AA1HSP90AB1PTK2ADORA2AADORA1
SCHEMBL29539989 0.83 CYP2A6 (0.57) HSP90AA1HSP90AB1PTK2ADORA2AADORA1
SCHEMBL23336394 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1PTK2ADORA2AADORA1
SCHEMBL28118705 0.81 ADORA1 (0.74) HSP90AA1HSP90AB1PTK2ADORA2AADORA1
SCHEMBL14127720 0.81 ADORA1 (0.61) ADORA2AADORA1LMNA
SCHEMBL6832429 0.79 ADORA1 (0.61) HSP90AA1HSP90AB1PTK2ADORA2AADORA1
SCHEMBL30402022 0.79 HSP90AA1 (0.50) HSP90AA1HSP90AB1PTK2ADORA2AADORA1
SCHEMBL6831577 0.77 MEN1 (0.59) HSP90AA1HSP90AB1PTK2ADORA2AADORA1
SCHEMBL19055026 0.76 CYP2A6 (0.53) HSP90AA1HSP90AB1PTK2ADORA2AADORA1
SCHEMBL28006788 0.76 CYP2A6 (0.50) HSP90AA1HSP90AB1PTK2ADORA2AADORA1

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-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 HSP90AA1 2819/4885HSP90AB1 2637/4885PTK2 119/4885

“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.