SCHEMBL3533726

SCHEMBL3533726

CC1CN(c2nccc(N)n2)CC(C)N1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.48
KDM1A O60341 1/20 0.40
GHSR Q92847 1/20 0.39
OGA O60502 1/20 0.38
SCN9A Q15858 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ROCK2 O75116 5/20 0.37
ROCK1 Q13464 3/20 0.37
BCL6 P41182 2/20 0.37
NCOR2 Q9Y618 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.36
HDAC1 Q13547 1/20 0.35
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
CDC7 O00311 1/20 0.33

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
SCHEMBL3533723 1.00 PTPN11 (0.48) PTPN11KDM1AGHSROGASCN9A
SCHEMBL31513687 0.81 MTOR (0.46) KDM1AOGAMKNK1MKNK2EIF2AK4
SCHEMBL26120616 0.81 MTOR (0.46) KDM1AOGAMKNK1MKNK2EIF2AK4
SCHEMBL25240554 0.80 PTPN11 (0.43) PTPN11GHSRSCN9AROCK2ROCK1
SCHEMBL30457411 0.80 PTPN11 (0.43) PTPN11GHSRSCN9AROCK2ROCK1
SCHEMBL23579408 0.78 KDM1A (0.42) KDM1AOGAMKNK1MKNK2CDC7
SCHEMBL29959199 0.78 KDM1A (0.42) KDM1AOGAMKNK1MKNK2CDC7
SCHEMBL30068037 0.77 ACACB (0.41) KDM1AOGAMKNK1MKNK2SUV39H2
SCHEMBL25280102 0.77 CTSS (0.42) PTPN11GHSRROCK2ROCK1
SCHEMBL29631769 0.77 KDM4E (0.44) PTPN11GHSRSCN9A

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-7713978-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-05-11 US disclosed
EP-2013178-A1 PIPERAZINE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUE (GHS) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2009-01-14 EP disclosed
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed
WO-2007113202-A1 PIPERAZINE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUE (GHS) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
US-20070238737-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-11 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-20070238737-A1 NOVEL COMPOUNDS FABP2, VIP, SLC10A2 PTPN11 4363/4885KDM1A 4714/4885GHSR 815/4885

“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.