SCHEMBL25344449

SCHEMBL25344449

COc1ccc(-c2cncc(C)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
CYP2A6 P11509 3/20 0.50
PIK3CA P42336 2/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
FYN P06241 1/20 0.47
ALPL P05186 2/20 0.46
PDE2A O00408 1/20 0.45
PDE10A Q9Y233 1/20 0.45
PIK3CD O00329 1/20 0.44
PIP5K1C O60331 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
ERN1 O75460 2/20 0.43

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
SCHEMBL29457522 1.00 PDGFRB (0.53) PDGFRBPDGFRACYP2A6PIK3CAHSD17B1
SCHEMBL31174412 0.81 CYP2A6 (0.68) PDGFRBPDGFRACYP2A6PIK3CAHSD17B1
SCHEMBL3754419 0.81 CYP2A6 (0.68) PDGFRBPDGFRACYP2A6PIK3CAHSD17B1
SCHEMBL12497850 0.80 MKNK1 (0.59) PDGFRBPDGFRACYP2A6PIK3CAHSD17B1
SCHEMBL13743320 0.79 CYP2A6 (0.49) CYP2A6PDE2APDE10ALOXL2
SCHEMBL12498936 0.79 HSD17B1 (0.67) PDGFRBPDGFRACYP2A6PIK3CAHSD17B1
SCHEMBL10205803 0.78 CYP2A6 (0.50) CYP2A6PIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL1422415 0.78 CYP2A6 (0.56) PDGFRBPDGFRACYP2A6PIK3CAHSD17B1
SCHEMBL11888378 0.77 CYP2A6 (0.61) CYP2A6MKNK1MKNK2PIK3CGGPR55
SCHEMBL7391984 0.77 MAP4K4 (0.57) PDGFRBPDGFRACYP2A6MKNK1MKNK2

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-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
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 PDGFRB 1567/4885PDGFRA 2517/4885CYP2A6 3027/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 PDGFRB 1567/4885PDGFRA 2517/4885CYP2A6 3027/4885

“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.