SCHEMBL14907882

SCHEMBL14907882

NCc1ccnc2[nH]cc(CN3CCCC3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.49
DRD4 P21917 5/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ROCK1 Q13464 8/20 0.40
CDC42BPB Q9Y5S2 8/20 0.40
CDC42BPA Q5VT25 4/20 0.40
PNP P00491 1/20 0.40
ROCK2 O75116 7/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39

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
SCHEMBL26686721 0.81 ALOX15 (0.52) ALOX15DRD4DRD2DRD3MAPK1
SCHEMBL26686896 0.81 ALOX15 (0.52) ALOX15DRD4DRD2DRD3MAPK1
SCHEMBL14907828 0.78 ALOX15 (0.47) ALOX15DRD4DRD2DRD3MAPK1
SCHEMBL30974955 0.74 ALOX15 (0.51) ALOX15DRD4DRD2DRD3MAPK1
SCHEMBL14907912 0.73 CHRM3 (0.40) ALOX15DRD4DRD2DRD3ROCK1
SCHEMBL14907823 0.72 LOXL2 (0.47) ROCK1CDC42BPBCDC42BPAROCK2JAK2
SCHEMBL26686804 0.72 POLB (0.50) ALOX15DRD4DRD2DRD3LMNA
SCHEMBL19327445 0.71 DRD4 (0.73) ALOX15DRD4DRD2DRD3MAPK1
SCHEMBL14907694 0.71 LRRK2 (0.45) ROCK1CDC42BPAROCK2
SCHEMBL14907831 0.71 AXL (0.43) MAPK1ROCK1CDC42BPBCDC42BPAROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B ALOX15 3780/4885DRD4 534/4885DRD2 700/4885

“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.