SCHEMBL21030280

SCHEMBL21030280

Cn1cnc2c1C(=O)NCN2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.33
SRC P12931 1/20 0.32
CYP3A4 P08684 2/20 0.32
PMP22 Q01453 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
MAPK1 P28482 1/20 0.32
NR3C1 P04150 1/20 0.30
NSD3 Q9BZ95 1/20 0.30
PIK3CD O00329 1/20 0.30
POLB P06746 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL15384357 0.75 LMNA (0.37) LMNAADORA2AADORA2BADORA1
SCHEMBL17761950 0.70 GDA (0.33) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL20011085 0.69 GDA (0.32) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL10104855 0.69 GDA (0.32) GDASRCCYP3A4PMP22ALDH1A1
SCHEMBL21987948 0.67 DRD4 (0.43) ALDH1A1TSHR
SCHEMBL13177050 0.62 GDA (0.32) GDASRCCYP3A4PMP22ALDH1A1
SCHEMBL21586265 0.61 ALDH1A1 (0.30) GDAALDH1A1
SCHEMBL24079417 0.60 GDA (0.30) GDA
SCHEMBL21678165 0.58 CDC7 (0.40)
SCHEMBL279754 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568921-B1 Extract of Vicia faba beans KING SAUD UNIVERSITY (SA) 2020-02-25 US disclosed
US-10300100-B1 Extract of Vicia faba beans KING SAUD UNIVERSITY (SA) 2019-05-28 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 (2 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-10568921-B1 Extract of Vicia faba beans VPS26A, HRH3, ARCN1 GDA 2632/4885SRC 2357/4885CYP3A4 1041/4885
US-10300100-B1 Extract of Vicia faba beans VPS26A, HRH3, ARCN1 GDA 2632/4885SRC 2357/4885CYP3A4 1041/4885

“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.