SCHEMBL25344922

SCHEMBL25344922

N#Cc1ccccc1Oc1ccc(N)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
MAP4K4 O95819 1/20 0.52
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
SYK P43405 1/20 0.41
PLAU P00749 1/20 0.40
KCNH2 Q12809 1/20 0.36
PIN1 Q13526 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
DCK P27707 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL25342784 0.81 MAP4K4 (0.46) MAP4K4GAAPOLBSMN1; SMN2NPC1
SCHEMBL25345770 0.75 MAP4K4 (0.39) BCAT2MAP4K4GAAPOLBSMN1; SMN2
SCHEMBL10480572 0.75 BCAT2 (0.58) BCAT2MAP4K4SMN1; SMN2NPC1RAB9A
SCHEMBL10480597 0.75 BCAT2 (0.58) BCAT2POLBSMN1; SMN2NPC1RAB9A
SCHEMBL4027665 0.75 MEN1 (0.79) BCAT2MAP4K4SMN1; SMN2NPC1RAB9A
SCHEMBL7054403 0.74 GAA (0.64) MAP4K4GAAPOLBSMN1; SMN2TSHR
SCHEMBL29457507 0.73 SYK (0.45) MAP4K4GAAPOLBSMN1; SMN2NPC1
SCHEMBL8431375 0.72 GAA (0.62) MAP4K4GAAPOLBSMN1; SMN2TSHR
SCHEMBL28425403 0.72 BCAT2 (0.59) BCAT2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL25344103 0.72 SYK (0.45) MAP4K4GAAPOLBSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 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 (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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 BCAT2 2048/4885MAP4K4 3713/4885GAA 1122/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 BCAT2 2048/4885MAP4K4 3713/4885GAA 1122/4885

“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.