SCHEMBL17761950

SCHEMBL17761950

Cn1cnc2c1NCNC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.33
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
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
NTSR1 P30989 1/20 0.30
MC3R P41968 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
SCHEMBL18069603 0.77 MAPK13 (0.33) ALDH1A1
SCHEMBL21030280 0.70 GDA (0.33) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL9910655 0.70 GDA (0.33) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL21678165 0.69 CDC7 (0.40)
SCHEMBL14091653 0.68 GDA (0.32) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL21586265 0.61 ALDH1A1 (0.30) GDAALDH1A1
SCHEMBL15074616 0.59 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1POLBADORA3
SCHEMBL23768851 0.59 HTR1A (0.33) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL20011085 0.58 GDA (0.32) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL15074620 0.58 KMT2A (0.38) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220428-A1 COMPOSITIONS FOR EDITING ASS1 TRANSCRIPTS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2016-09-15 US disclosed
US-20160137777-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2016-05-19 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 (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-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR GDA 117/4885CYP3A4 2267/4885PMP22 2139/4885

“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.