SCHEMBL3466463

SCHEMBL3466463

Nc1ncnc2[nH]c(Sc3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
TYMS P04818 1/20 0.42
DHFR P00374 1/20 0.40
HAO1 Q9UJM8 1/20 0.38
NSD2 O96028 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
XDH P47989 1/20 0.36
PTGIR P43119 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GRM5 P41594 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 2/20 0.35
CLK1 P49759 1/20 0.35
SCN9A Q15858 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL16487238 0.86 LMNA (0.37) LMNATSHRCLK1MAP4K4
SCHEMBL16486831 0.83 HSP90AA1 (0.38) LMNATSHRNSD2NSD3CLK1
SCHEMBL5131165 0.81 HSP90AB1 (0.38) LMNATSHRNSD2NSD3ALDH1A1
SCHEMBL3116678 0.81 LMNA (0.68) LMNATSHRTYMSDHFRALDH1A1
SCHEMBL5132695 0.81 LMNA (0.48) LMNATSHRTYMSDHFRALDH1A1
SCHEMBL3122714 0.78 LMNA (0.46) LMNATSHRTYMSDHFRNSD2
SCHEMBL16487095 0.76 LMNA (0.44) LMNATSHRALDH1A1EGFRPI4KA
SCHEMBL13845784 0.75 PIK3CG (0.47) LMNATSHRMAP4K4PI4KAPI4K2B
SCHEMBL16487153 0.75 LMNA (0.49) LMNATSHRTYMSDHFRHAO1
SCHEMBL16486997 0.75 LMNA (0.43) LMNATSHRMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 LMNA 4322/4885TSHR 3642/4885TYMS 4391/4885

“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.