SCHEMBL30850682

SCHEMBL30850682

Cc1cccc(CNc2ncnc3[nH]cnc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.60
AURKA O14965 2/20 0.55
RPS6KB1 P23443 1/20 0.55
CLK4 Q9HAZ1 8/20 0.53
EGFR P00533 1/20 0.52
CYP3A4 P08684 6/20 0.50
CYP2D6 P10635 6/20 0.50
CYP2C19 P33261 6/20 0.50
TSHR P16473 6/20 0.50
CYP2C9 P11712 3/20 0.50
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
CSF1R P07333 1/20 0.48

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
SCHEMBL4921700 1.00 CYP1A2 (0.60) CYP1A2AURKARPS6KB1CLK4EGFR
SCHEMBL20119574 0.87 POLB (0.47) CYP1A2AURKARPS6KB1CYP2C19TSHR
SCHEMBL2623140 0.86 RPS6KB1 (0.48) CYP1A2AURKARPS6KB1CLK4EGFR
SCHEMBL4920209 0.85 AURKA (0.54) CYP1A2AURKARPS6KB1CLK4EGFR
SCHEMBL639807 0.84 CDC7 (0.67) AURKACLK4EGFRCDC7DBF4
SCHEMBL4923417 0.84 EGFR (0.55) CYP1A2AURKARPS6KB1CLK4EGFR
SCHEMBL638499 0.84 CCNB2 (0.59) CYP1A2AURKARPS6KB1CLK4EGFR
SCHEMBL4921713 0.84 CDC7 (0.48) CYP1A2AURKACLK4CYP2D6TSHR
SCHEMBL30605167 0.84 CCNB2 (0.59) CYP1A2AURKARPS6KB1CLK4EGFR
SCHEMBL621253 0.84 CLK4 (0.67) AURKARPS6KB1CLK4EGFRCDC7

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 CYP1A2 825/4885AURKA 2534/4885RPS6KB1 1321/4885

“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.