SCHEMBL22968358

SCHEMBL22968358

FC(F)(F)c1cnn(I)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
GABRB3 P28472 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 1/20 0.30

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
SCHEMBL23935205 0.70 EPHX2 (0.33) EPHX2GABRB3ALDH1A1TSHRGABRP
SCHEMBL29749490 0.70 EPHX2 (0.33) EPHX2GABRB3ALDH1A1TSHRGABRP
SCHEMBL1258424 0.70 EPHX2 (0.33) EPHX2NOS3NOS2GABRB3ALDH1A1
SCHEMBL22968355 0.69
SCHEMBL31010274 0.67 AR (0.32) EPHX2ALDH1A1GABRA2GABRB2
SCHEMBL22056126 0.65 KDM4E (0.33) EPHX2ALDH1A1
SCHEMBL15723839 0.65 ACHE (0.53)
SCHEMBL16798341 0.65 KCNH2 (0.35) EPHX2
SCHEMBL22492989 0.65 NOS1 (0.35) EPHX2
SCHEMBL2188206 0.65 KCNH2 (0.35) EPHX2GABRB3ALDH1A1GABRPGABRD

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-11583532-B2 Triazolopyrimidine derivatives for use as ghrelin o-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-02-21 US disclosed
US-20210038603-A1 TRIAZOLOPYRIMIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2021-02-11 US disclosed
CN-104114555-B Pyrazolopyrimidine derivatives, process for their preparation and their therapeutic use 赛诺菲 2017-09-01 CN disclosed
CN-106317056-A Pyrazolopyridine derivatives, preparation process therefor and therapeutic use thereof 赛诺菲 2017-01-11 CN 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-20210038603-A1 TRIAZOLOPYRIMIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS MBOAT4, GIPR, MTTP EPHX2 3661/4885NOS3 2024/4885NOS2 2484/4885
US-11583532-B2 Triazolopyrimidine derivatives for use as ghrelin o-acyl transferase (GOAT) inhibitors MBOAT4, GIPR, MTTP EPHX2 3661/4885NOS3 2024/4885NOS2 2484/4885

“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.