SCHEMBL21244075

SCHEMBL21244075

Nc1ccc(-c2ccc(N)nc2N)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAP4K4 O95819 2/20 0.46
CYP1A2 P05177 1/20 0.46
KCNH2 Q12809 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
TNIK Q9UKE5 1/20 0.46
FEN1 P39748 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
ALOX5AP P20292 2/20 0.43
TDO2 P48775 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL21223531 0.85 CYP2A6 (0.44) PIK3CDMKNK1MKNK2FEN1ALOX5AP
SCHEMBL21222973 0.81 TDO2 (0.43) FEN1ALOX5APTDO2NNMT
SCHEMBL4023179 0.80 FEN1 (0.50) PIK3CDMKNK1MKNK2MAP4K4CYP1A2
SCHEMBL16835898 0.80 NOS3 (0.47) PIK3CDMKNK1MKNK2MAP4K4CYP1A2
SCHEMBL21223155 0.78 CNR2 (0.52) KDM4E
SCHEMBL21223162 0.77 CNR2 (0.54) MAP4K4KDM4E
SCHEMBL1257460 0.77 PIK3CD (0.73) PIK3CDMKNK1MKNK2MAP4K4CYP1A2
SCHEMBL29740321 0.77 PIK3CD (0.73) PIK3CDMKNK1MKNK2MAP4K4CYP1A2
SCHEMBL21223550 0.75 BACE1 (0.44) CYP1A2FEN1KDM4EALDH1A1GAA
SCHEMBL21223602 0.75 MAP4K4 (0.50) MKNK1MKNK2MAP4K4CYP1A2KCNH2

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
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN claimed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN disclosed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 PIK3CD 2204/4885MKNK1 2840/4885MKNK2 2248/4885

“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.