SCHEMBL15415871

SCHEMBL15415871

Cn1ncc2cc(C(=N)NO)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.49
▸ MAOA P21397 2/20 0.49
▸ ACHE P22303 1/20 0.49
▸ VNN1 O95497 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ AR P10275 4/20 0.43
▸ PDE1C Q14123 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 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
SCHEMBL29040363 0.88 VNN1 (0.45) MAOBMAOAACHEVNN1PTGER3
SCHEMBL30159516 0.76 MAOB (0.56) MAOBMAOAACHEVNN1PTGER3
SCHEMBL23178566 0.76 MAOB (0.49) MAOBMAOAACHEVNN1PTGER3
SCHEMBL4410330 0.76 MAOB (0.59) MAOBMAOAACHEVNN1PTGER3
SCHEMBL1144709 0.76 MAOB (0.56) MAOBMAOAACHEVNN1PTGER3
SCHEMBL30041675 0.75 PDE1C (0.57) MAOBMAOAACHEVNN1PTGER3
SCHEMBL30147566 0.75 CCNC (0.63) MAOBMAOAACHEVNN1PTGER3
SCHEMBL23559657 0.75 CCNC (0.63) MAOBMAOAACHEVNN1PTGER3
SCHEMBL1144917 0.75 PDE1C (0.57) MAOBMAOAACHEVNN1PTGER3
SCHEMBL16887226 0.74 AR (0.49) MAOBMAOAACHEVNN1PTGER3

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-9163023-B2 Compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-10-20 — — US disclosed
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-07-09 — — US disclosed
EP-2877468-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2015-06-03 — — EP disclosed
WO-2014009794-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-01-16 — — 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-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV CCR5, CD4, HAVCR2 MAOB 1424/4885MAOA 2250/4885ACHE 1218/4885

“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.

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