SCHEMBL21995607

SCHEMBL21995607

N#Cc1cccc(F)c1NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.44
NOTUM Q6P988 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CXCR2 P25025 1/20 0.41
KAT6A Q92794 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NLRP3 Q96P20 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM4 Q14833 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL2095077 0.81 KMT2A (0.62) KMT2AALDH1A1NLRP3NPC1RAB9A
SCHEMBL22979609 0.81 TSHR (0.48) KMT2AALDH1A1NOTUMGAAKDM4E
SCHEMBL30542575 0.81 RAB9A (0.50) KMT2AALDH1A1GAAKDM4ELMNA
SCHEMBL7976076 0.81 NLRP3 (0.60) KMT2AALDH1A1GAAKDM4ELMNA
SCHEMBL16332678 0.80 GAA (0.40) KMT2AALDH1A1GAAKDM4ELMNA
SCHEMBL22979896 0.79 GAA (0.43) KMT2AALDH1A1NOTUMGAAKDM4E
SCHEMBL22979056 0.79 GAA (0.41) KMT2AALDH1A1NOTUMGAAKDM4E
SCHEMBL17650041 0.79 GRM4 (0.37) KMT2AALDH1A1NOTUMGAAKDM4E
SCHEMBL31321236 0.77 TRPA1 (0.46) KMT2AALDH1A1KDM4EKAT6ANLRP3
SCHEMBL28078368 0.77 TRPA1 (0.46) KMT2AALDH1A1KDM4EKAT6ANLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171447-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-05-29 US disclosed
EP-4479056-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF Merck Sharp & Dohme LLC (US) 2024-12-25 EP disclosed
WO-2023158626-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-24 WO disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
EP-3887377-A1 7-, 8-, AND 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE Merck Sharp & Dohme Corp. (US) 2021-10-06 EP disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed
WO-2020112706-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-06-04 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 (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-20250171447-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF ADORA2A, ADORA2B, ADORA1 KMT2A 1891/4885ALDH1A1 483/4885NOTUM 4468/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 KMT2A 919/4885ALDH1A1 597/4885NOTUM 3922/4885

“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.