SCHEMBL4024239

SCHEMBL4024239

Nc1ccc(-c2ncccn2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.52
MAP4K4 O95819 1/20 0.52
CYP2A6 P11509 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
ADRB2 P07550 1/20 0.47
NOS3 P29474 2/20 0.46
NOS2 P35228 2/20 0.46
PI4KA P42356 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
NOS1 P29475 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL23888757 0.81 PIK3CD (0.56) PIK3CDMAP4K4MKNK1MKNK2NOS3
SCHEMBL31025875 0.81 PIK3CD (0.56) PIK3CDMAP4K4MKNK1MKNK2NOS3
SCHEMBL29740321 0.80 PIK3CD (0.73) PIK3CDMAP4K4MKNK1MKNK2NOS3
SCHEMBL1257460 0.80 PIK3CD (0.73) PIK3CDMAP4K4MKNK1MKNK2NOS3
SCHEMBL30337416 0.78 PIK3CD (0.70) PIK3CDMAP4K4MKNK1MKNK2NOS3
SCHEMBL1722976 0.77 CYP2A6 (0.55) PIK3CDMAP4K4CYP2A6MKNK1MKNK2
SCHEMBL24303454 0.77 MEN1 (0.53) PIK3CDMAP4K4MKNK1MKNK2MEN1
SCHEMBL13097048 0.77 NOS3 (0.44) PIK3CDMAP4K4MKNK1MKNK2NOS3
SCHEMBL1199766 0.74 CYP2A6 (0.52) PIK3CDCYP2A6ADRB2PI4KAPI4KB
SCHEMBL29568613 0.74 MAP4K4 (0.64) PIK3CDMAP4K4MKNK1MKNK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 EP disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
US-7696217-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
US-7696217-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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 (1 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R PIK3CD 2997/4885MAP4K4 2887/4885CYP2A6 1366/4885

“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.