SCHEMBL5190435

SCHEMBL5190435

O=C(Nc1ncccn1)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 2/20 0.45
ULK1 O75385 1/20 0.45
GSK3B P49841 5/20 0.44
DYRK1A Q13627 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
HPGD P15428 1/20 0.43
ACVRL1 P37023 1/20 0.43
TP53 P04637 1/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
F10 P00742 1/20 0.41
WNT1 P04628 1/20 0.41

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
SCHEMBL2475102 0.82 RAB9A (0.56) GSK3BHPGDACVRL1TP53
SCHEMBL15740761 0.82 ULK1 (0.51) ADORA1ADORA3ADORA2AULK1GSK3B
Hydrochloric Acid SCHEMBL27396506 0.81 RAB9A (0.55) GSK3BHPGDACVRL1TP53
Hydrochloric Acid SCHEMBL21640154 0.81 MAPT (0.43) ADORA1ADORA3ADORA2AGSK3BDYRK1A
SCHEMBL18906054 0.81 ADORA1 (0.50) ADORA1ADORA3ADORA2AGSK3BHPGD
SCHEMBL4710626 0.79 HPGD (0.47) ADORA1ADORA3ADORA2AULK1GSK3B
SCHEMBL4710625 0.79 HPGD (0.47) ADORA1ADORA3ADORA2AULK1GSK3B
SCHEMBL14502145 0.77 SMN1; SMN2 (0.51) TP53MAPT
SCHEMBL3644584 0.76 GSK3B (0.60) ADORA1ADORA3ADORA2AGSK3BDYRK1A
SCHEMBL18394945 0.76 NPC1 (0.63)

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
US-20230063457-A1 DNA-PK INHIBITING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-03-02 US disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO 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-20230063457-A1 DNA-PK INHIBITING COMPOUNDS DCK, POLK, ERCC2 ADORA1 2860/4885ADORA3 2903/4885ADORA2A 2343/4885

“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.