SCHEMBL22206337

SCHEMBL22206337

CC(C)(C)OC(=O)NCC(Cn1nc2ccc(Br)cn2c1=O)=C(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 14/20 0.46
▸ PDE10A Q9Y233 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MAP2K2 P36507 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32

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
SCHEMBL22092081 0.85 GPR139 (0.38) GPR139EGFRRAF1KDRMAP2K2
SCHEMBL22206423 0.85 GPR139 (0.46) GPR139PDE10AKDM4ERXFP1NPC1
SCHEMBL22092278 0.80 GPR139 (0.47) GPR139PDE10A
SCHEMBL29124232 0.78 CA1 (0.36) NPC1AAK1EGFRRAF1KDR
SCHEMBL22092249 0.76 GPR139 (0.48) GPR139PDE10AKDM4ERXFP1
SCHEMBL22206482 0.75 HDAC10 (0.35) NPC1EGFRRAF1KDRMAP2K2
SCHEMBL22092244 0.75 FGFR3 (0.41) GPR139KDR
Trifluoroacetic Acid SCHEMBL22092129 0.74 GPR139 (0.45) GPR139PDE10AKDM4ERXFP1
SCHEMBL29267573 0.74 CYP2C19 (0.33) GPR139ALDH1A1
SCHEMBL29267547 0.74 CYP2C19 (0.35) GPR139KDM4EALDH1A1

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
US-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-11-21 — — US disclosed
US-20220024918-A1 TRIAZOLOPYRIDIN-3-ONES OR THEIR SALTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2022-01-27 — — US disclosed
US-11091479-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-08-17 — — US disclosed
US-20200223844-A1 TRIAZOLOPYRIDIN-3-ONES OR THEIR SALTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 — — 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 (4 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-11091479-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same VAPB, HDLBP, VAPA GPR139 4033/4885PDE10A 4028/4885KDM4E 4294/4885
US-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same VAPB, HDLBP, VAPA GPR139 4033/4885PDE10A 4028/4885KDM4E 4294/4885
US-20200223844-A1 TRIAZOLOPYRIDIN-3-ONES OR THEIR SALTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPB, HDLBP, VAPA GPR139 4033/4885PDE10A 4028/4885KDM4E 4294/4885
US-20220024918-A1 TRIAZOLOPYRIDIN-3-ONES OR THEIR SALTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPB, HDLBP, VAPA GPR139 4033/4885PDE10A 4028/4885KDM4E 4294/4885

“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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