SCHEMBL3536634

SCHEMBL3536634

CC1CN(c2ccnc(N)n2)CC(C)N1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.55
HRH4 Q9H3N8 2/20 0.55
ROCK1 Q13464 5/20 0.50
EIF2AK4 Q9P2K8 1/20 0.46
SORD Q00796 6/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL3536631 1.00 HRH3 (0.55) HRH3HRH4ROCK1EIF2AK4SORD
SCHEMBL17626635 0.85 HRH3 (0.60) HRH3HRH4ROCK1SORD
SCHEMBL25236876 0.80 EIF2AK4 (0.43) HRH4EIF2AK4SORD
SCHEMBL30457520 0.80 EIF2AK4 (0.43) HRH4EIF2AK4SORD
SCHEMBL13018663 0.80 HRH3 (0.70) HRH3HRH4ROCK1
SCHEMBL27730153 0.78 HRH3 (0.58) HRH3HRH4ROCK1SORD
SCHEMBL31227206 0.78 HRH3 (0.58) HRH3HRH4ROCK1SORD
SCHEMBL17626690 0.78 HRH3 (0.63) HRH3HRH4ROCK1
SCHEMBL13506774 0.77 HRH3 (0.57) HRH3HRH4ROCK1
SCHEMBL30524183 0.77 HRH3 (0.57) HRH3HRH4ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713978-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-05-11 US disclosed
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 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 HRH3 664/4885HRH4 139/4885ROCK1 2838/4885

“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.