SCHEMBL3422229

SCHEMBL3422229

Nc1nc(Cl)c(N)c(NCc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.60
CDK1 P06493 2/20 0.52
PLAU P00749 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDE5A O76074 1/20 0.49
EGFR P00533 1/20 0.48
CHUK O15111 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL10485673 0.83 APP (0.64) APPCDK1NPSR1CHUKSMN1; SMN2
SCHEMBL3391705 0.81 APP (0.61) APPNPSR1PDE5AEGFR
SCHEMBL4926850 0.80 MAPT (0.66) APPNPSR1SMN1; SMN2
SCHEMBL13244946 0.80 APP (0.52) APPCDK1PLAUNPSR1PDE5A
SCHEMBL9476148 0.79 MEN1 (0.48) APPSMN1; SMN2
SCHEMBL3396367 0.79 PLAU (0.53) PLAUPDE5ASMN1; SMN2
SCHEMBL4045936 0.79 EGFR (0.53) APPPDE5AEGFR
SCHEMBL783719 0.77 KDM4C (0.72) EGFRSMN1; SMN2
SCHEMBL30983851 0.77 KDM4C (0.72) EGFRSMN1; SMN2
SCHEMBL18207827 0.77 SRC (0.50) APPPLAUPDE5A

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 4 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
US-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-26 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 (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 APP 4604/4885CDK1 563/4885PLAU 4571/4885
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 APP 4604/4885CDK1 563/4885PLAU 4571/4885

“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.