SCHEMBL13036116

SCHEMBL13036116

COc1cc(-c2ccc(C)cc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.55
S1PR1 P21453 2/20 0.48
LOX P28300 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
SLC13A5 Q86YT5 1/20 0.47
CHRNA7 P36544 1/20 0.46
LRRK2 Q5S007 3/20 0.45
AAK1 Q2M2I8 2/20 0.45
FAAH O00519 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
ACVR2A P27037 2/20 0.43
TGFBR2 P37173 2/20 0.43
FDPS P14324 1/20 0.43
CNR1 P21554 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL30626327 0.89 LOX (0.55) DYRK1AS1PR1LOXLOXL2SLC13A5
SCHEMBL16116782 0.89 LOX (0.55) DYRK1AS1PR1LOXLOXL2SLC13A5
SCHEMBL29141734 0.86 DYRK1A (0.53) DYRK1AS1PR1LOXLOXL2SLC13A5
SCHEMBL22283952 0.85 HSD17B1 (0.49) DYRK1AS1PR1LOXLOXL2SLC13A5
SCHEMBL12441340 0.84 DYRK1A (0.65) DYRK1AS1PR1LOXLOXL2SLC13A5
SCHEMBL18481804 0.84 LOX (0.47) DYRK1AS1PR1LOXLOXL2SLC13A5
SCHEMBL16404625 0.84 CNR1 (0.49) DYRK1ALOXLOXL2SLC13A5LRRK2
SCHEMBL23244704 0.82 DYRK1A (0.45) DYRK1AS1PR1LOXLOXL2SLC13A5
SCHEMBL94462 0.82 DYRK1A (0.49) DYRK1AS1PR1LOXLOXL2SLC13A5
SCHEMBL22295862 0.82 AAK1 (0.47) DYRK1AS1PR1LOXLOXL2SLC13A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 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-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 DYRK1A 3664/4885S1PR1 953/4885LOX 4680/4885

“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.