SCHEMBL5548958

SCHEMBL5548958

N#Cc1ccc(-c2n[c]no2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 3/20 0.40
CA12 O43570 3/20 0.40
GSK3B P49841 4/20 0.40
MMP3 P08254 1/20 0.39
CYP11B2 P19099 1/20 0.37
CA13 Q8N1Q1 1/20 0.36
KIF11 P52732 2/20 0.36
GSK3A P49840 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GAA P10253 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL1546047 0.75 NPC1 (0.48) NOTUMMAOAMAOB
SCHEMBL1546620 0.75 NPC1 (0.41) NOTUMMAOAMAOBALDH1A1
SCHEMBL795461 0.74 NPC1 (0.44) NOTUMALDH1A1MAPT
SCHEMBL3475309 0.72 TP53 (0.46) NOTUMCA2CA9CA1CA12
SCHEMBL27864374 0.71 MAOA (0.68) NOTUMMAOAMAOBCA2CA9
SCHEMBL3965118 0.70 LMNA (0.44) NOTUMGSK3BKIF11ALDH1A1
SCHEMBL2333242 0.70 NPC1 (0.47) NOTUMGSK3BALDH1A1MAPT
SCHEMBL6135425 0.70 RAB9A (0.46) NOTUMMAOAMAOBKIF11ALDH1A1
SCHEMBL14625561 0.68 NOTUM (0.50) NOTUMMAOAMAOBCA2CA9
Water SCHEMBL11055485 0.67 MMP3 (0.74) NOTUMMAOAMAOBCA2CA9

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-7304070-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-12-04 US claimed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US claimed

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-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NOTUM 4451/4885MAOA 313/4885MAOB 166/4885

“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.