SCHEMBL22002017

SCHEMBL22002017

c1cncc(Nc2cncc3ccccc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.71
ADRA2B P18089 2/20 0.71
ADRA2C P18825 2/20 0.71
ADRA1A P35348 1/20 0.71
KMT2A Q03164 2/20 0.55
RAD52 P43351 1/20 0.55
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
PDE5A O76074 2/20 0.48
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CDC25B P30305 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43

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
SCHEMBL2791578 0.86 ADRA2A (0.80) ADRA2AADRA2BADRA2CADRA1AKMT2A
SCHEMBL15901656 0.85 ALDH1A1 (0.65) ADRA2AADRA2BADRA2CADRA1AKMT2A
SCHEMBL25167314 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AKMT2A
SCHEMBL24011524 0.83 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1AKMT2A
SCHEMBL13367467 0.79 KMT2A (0.54) ADRA2AADRA2BADRA2CADRA1AKMT2A
SCHEMBL20062968 0.78 KMT2A (0.55) ADRA2AADRA2BADRA2CKMT2ARAD52
SCHEMBL25454723 0.77 ADRA2A (0.71) ADRA2AADRA2BADRA2CADRA1AKMT2A
SCHEMBL3948184 0.76 FADS1 (0.69) ADRA2AADRA2BADRA2CADRA1AKMT2A
SCHEMBL30743841 0.74 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AKMT2A
SCHEMBL8352436 0.74 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AKMT2A

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
WO-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 WO disclosed
US-11001778-B2 Lubricant composition BASF SE (DE) 2021-05-11 US disclosed
US-20200239803-A1 Lubricant Composition BASF SE (DE) 2020-07-30 US disclosed
US-10655079-B2 Lubricant composition BASF SE (DE) 2020-05-19 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 (3 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-10655079-B2 Lubricant composition SOD1, LPO, GPX4 ADRA2A 2520/4885ADRA2B 3100/4885ADRA2C 3245/4885
US-20200239803-A1 Lubricant Composition SOD1, LPO, GPX4 ADRA2A 2571/4885ADRA2B 3159/4885ADRA2C 3307/4885
US-11001778-B2 Lubricant composition SOD1, LPO, GPX4 ADRA2A 2571/4885ADRA2B 3159/4885ADRA2C 3307/4885

“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.