SCHEMBL30850641

SCHEMBL30850641

c1ccc(-c2cncc(-c3ncc4nc[nH]c4n3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.41
CDK8 P49336 2/20 0.41
MKNK2 Q9HBH9 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
HPGDS O60760 1/20 0.38
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
GSK3B P49841 2/20 0.36
TNIK Q9UKE5 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL680853 0.86 NPC1 (0.45) HPGDSNPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL4456673 0.85 NPC1 (0.44) HPGDSNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30850608 0.83 XDH (0.40) QPCTLCYP11B1CYP11B2MAPTGSK3B
SCHEMBL3027716 0.81 QPCT (0.50) HPGDSQPCTQPCTLSMN1; SMN2MAPT
SCHEMBL30677345 0.81 QPCT (0.50) HPGDSQPCTQPCTLSMN1; SMN2MAPT
SCHEMBL30850659 0.80 QPCT (0.54) MKNK2MKNK1HPGDSQPCTQPCTL
SCHEMBL30850686 0.80 IP6K1 (0.44) CHRNA7CYP3A4
SCHEMBL30850720 0.79 PIK3CA (0.42) QPCTQPCTLCYP11B1CYP11B2CYP3A4
SCHEMBL30677421 0.79 GBA1 (0.38) CYP11B1CYP11B2
SCHEMBL30850562 0.76 CYP11B1 (0.42) MKNK2MKNK1CYP11B1CYP11B2SYK

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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B AXL 1643/4885CDK8 1177/4885MKNK2 3013/4885

“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.