SCHEMBL30641018

SCHEMBL30641018

NCC(Cn1nc2cc(C#Cc3ccc4c(c3)NCCO4)ccn2c1=O)=C(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 1/20 0.35
▸ RET P07949 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22206346 1.00 GPR139 (0.35) GPR139RETPDE3BPDE3AALDH1A1
Trifluoroacetic Acid SCHEMBL22206396 0.94 GPR139 (0.34) GPR139RET
SCHEMBL22092265 0.88 GPR139 (0.34) GPR139
SCHEMBL22206390 0.86 GRM5 (0.45) GPR139
Trifluoroacetic Acid SCHEMBL22206380 0.84 GPR139 (0.33) GPR139
SCHEMBL22206347 0.82 GPR139 (0.34) GPR139ALDH1A1
Trifluoroacetic Acid SCHEMBL22092065 0.81 GRM5 (0.42) GPR139
SCHEMBL22092071 0.78 GPR139 (0.40) GPR139
Trifluoroacetic Acid SCHEMBL22206367 0.78 GPR139 (0.33) GPR139
SCHEMBL22092121 0.78 GPR139 (0.34) GPR139PDE3BPDE3AALDH1A1MAPT

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-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-11-21 — — 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-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same VAPB, HDLBP, VAPA GPR139 4033/4885RET 1707/4885PDE3B 2673/4885

“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.

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