SCHEMBL3081815

SCHEMBL3081815

O=Cc1nc2ccccn2c1-c1ccc(N2CCCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KIT P10721 4/20 0.40
CNR1 P21554 1/20 0.39
JAK1 P23458 1/20 0.38
SLC27A1 Q6PCB7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3080481 0.90 PRKDC (0.50) CNR2JAK1
SCHEMBL3080789 0.90 FYN (0.48) ALDH1A1L3MBTL1SLC27A1KDM4E
SCHEMBL3084701 0.82 MCHR1 (0.47)
SCHEMBL3077086 0.79 CNR2 (0.44) CNR2KITCNR1JAK1SLC27A1
SCHEMBL5384466 0.76 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL3089794 0.76 USP7 (0.44) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL28570789 0.75 HSP90AA1 (0.47) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL3076680 0.75 PTGS1 (0.49) CNR2ALDH1A1L3MBTL1SLC27A1KDM4E
SCHEMBL3070139 0.74 KDM4E (0.47) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL3083714 0.73 PRKDC (0.52)

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-20100227880-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-09-09 US disclosed
EP-1984375-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-10-29 EP disclosed
WO-2007087548-A9 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-09-27 WO disclosed
WO-2007087548-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-02 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-20100227880-A1 CHEMICAL COMPOUNDS CYP3A5, SLC10A1, ABCB11 CNR2 589/4885ALDH1A1 210/4885L3MBTL1 4868/4885

“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.