SCHEMBL3396367

SCHEMBL3396367

Nc1nc(Cl)c(N)c(NCc2ccccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.53
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
TLR7 Q9NYK1 5/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ATAD2 Q6PL18 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
JAK2 O60674 1/20 0.45
IGF1R P08069 1/20 0.45
PIM1 P11309 1/20 0.45
SRC P12931 1/20 0.45
CSNK2A2 P19784 1/20 0.45
KCNA5 P22460 1/20 0.45
JAK1 P23458 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
TYK2 P29597 1/20 0.45

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
SCHEMBL18207415 0.83 PPARG (0.51) PLAUMAOAMAOBKDM4EHPGD
SCHEMBL10874371 0.81 KDM4C (0.59) PLAUMAOAMAOBKDM4EHPGD
SCHEMBL21842432 0.80 APP (0.38) PLAU
SCHEMBL3422229 0.79 APP (0.60) PLAUPDE5ASMN1; SMN2
SCHEMBL21814415 0.79 ADORA2A (0.43) PLAUADORA2AADORA1
SCHEMBL6026151 0.78 MAOA (0.51) PLAUMAOAMAOBKDM4EHPGD
SCHEMBL27609444 0.77 MAOA (0.60) MAOAMAOBKDM4EHPGDALDH1A1
SCHEMBL9476148 0.74 MEN1 (0.48) TLR7KDM4EHPGDALDH1A1LMNA
SCHEMBL8114510 0.74 BCHE (0.56) PLAUMAOAMAOBKDM4EHPGD
SCHEMBL10509411 0.72 MAOA (0.58) MAOAMAOBKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-7129244-B2 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-31 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 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 (2 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-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 PLAU 4571/4885MAOA 3835/4885MAOB 3675/4885
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 PLAU 4571/4885MAOA 3835/4885MAOB 3675/4885

“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.