SCHEMBL5795073

SCHEMBL5795073

O=C(O)c1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TGM2 P21980 2/20 0.50
SCD O00767 1/20 0.47
EGLN1 Q9GZT9 1/20 0.43
GRM2 Q14416 1/20 0.43
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
KCNH2 Q12809 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
USP2 O75604 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL10666350 0.87 GPR55 (0.54) TGM2GRM2ALDH1A1LMNAPSEN1
SCHEMBL24208572 0.86 TGM2 (0.66) HSP90AA1HSP90AB1TGM2EGLN1GRM2
SCHEMBL5797317 0.84 HSP90AA1 (0.58) HSP90AA1HSP90AB1TGM2SCDALDH1A1
SCHEMBL5793740 0.82 ALDH1A1 (0.64) HSP90AA1HSP90AB1TGM2SCDALDH1A1
SCHEMBL5796871 0.79 TACR1 (0.50) HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL19813134 0.78 HPGD (0.53) TGM2SCDEGLN1GRM2DPP4
SCHEMBL25333961 0.78 EGLN1 (0.51) TGM2SCDEGLN1GRM2ALDH1A1
SCHEMBL2378228 0.77 P2RX1 (0.53) TGM2ALDH1A1LMNAUSP2HDAC1
SCHEMBL28654469 0.75 HSP90AA1 (0.51) HSP90AA1HSP90AB1TGM2ALDH1A1PSEN1
SCHEMBL553716 0.75 ALDH1A1 (0.67) HSP90AB1TGM2ALDH1A1LMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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 (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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 HSP90AA1 2007/4885HSP90AB1 1962/4885TGM2 3828/4885

“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.