SCHEMBL23934773

SCHEMBL23934773

CCC(C)/N=C/c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.49
MAOA P21397 2/20 0.47
TOP2A P11388 2/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
G6PC1 P35575 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
USP2 O75604 1/20 0.44
MAOB P27338 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTH P32929 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
SLC2A1 P11166 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
SCHEMBL5485156 1.00 NR4A1 (0.49) NR4A1MAOATOP2AMEN1NPC1
SCHEMBL12470549 0.87 NR4A1 (0.46) NR4A1MAOATOP2AMEN1NPC1
SCHEMBL10319210 0.82 NR4A1 (0.55) NR4A1MAOATOP2AMEN1NPC1
SCHEMBL9914143 0.82 NR4A1 (0.55) NR4A1MAOATOP2AMEN1NPC1
SCHEMBL16471820 0.79 MAOA (0.47) NR4A1MAOATOP2AMEN1NPC1
SCHEMBL16471855 0.79 NR4A1 (0.52) NR4A1MAOATOP2AMEN1NPC1
SCHEMBL3731779 0.77 NR4A1 (0.50) NR4A1MAOATOP2AMEN1NPC1
SCHEMBL11227025 0.77 NR4A1 (0.50) NR4A1MAOATOP2AMEN1NPC1
SCHEMBL4889496 0.77 NR4A1 (0.50) NR4A1MAOATOP2AMEN1NPC1
SCHEMBL4889484 0.77 NR4A1 (0.50) NR4A1MAOATOP2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323969-A1 FUSED TRIAZOLO-PYRIMIDINE COMPOUNDS HAVING USEFUL PHARMACEUTICAL APPLICATION PIKSCI INC. (CA) 2021-10-21 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 (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-20210323969-A1 FUSED TRIAZOLO-PYRIMIDINE COMPOUNDS HAVING USEFUL PHARMACEUTICAL APPLICATION PIKFYVE, PIP4K2B, PIP4K2A NR4A1 4439/4885MAOA 4546/4885TOP2A 1260/4885

“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.