SCHEMBL338577

SCHEMBL338577

CN1CCC(C(=O)Nc2nnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
WNT1 P04628 1/20 0.39
DYRK1A Q13627 1/20 0.39
GSK3A P49840 1/20 0.37
DPP4 P27487 4/20 0.36
BRD4 O60885 1/20 0.36
DPP8 Q6V1X1 3/20 0.36
ROCK2 O75116 1/20 0.35
MAPT P10636 1/20 0.35
P2RX7 Q99572 2/20 0.35
CHRM3 P20309 1/20 0.35
F10 P00742 1/20 0.35
EPHX2 P34913 2/20 0.35
DPP9 Q86TI2 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL339777 0.91 EPHX2 (0.38) DPP4DPP8EPHX2DPP9
SCHEMBL339881 0.89 GSK3B (0.36) GSK3BDYRK1AGSK3ADPP4DPP8
SCHEMBL339320 0.89 DPP4 (0.41) GSK3BGSK3ADPP4DPP8EPHX2
SCHEMBL339259 0.79 CHRM3 (0.33) DPP4CHRM3ALDH1A1
SCHEMBL339261 0.79 CHRM3 (0.33) DPP4CHRM3ALDH1A1
SCHEMBL339260 0.79 CHRM3 (0.33) DPP4CHRM3ALDH1A1
SCHEMBL338950 0.79 ALDH1A1 (0.40) DPP4DPP8DPP9ALDH1A1
SCHEMBL340212 0.78 DPP4 (0.39) DPP4DPP8MAPTDPP9ALDH1A1
SCHEMBL339703 0.77 P2RX7 (0.45) P2RX7POLB
SCHEMBL1911445 0.76 P2RX7 (0.38) DPP4BRD4DPP8MAPTP2RX7

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-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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 (2 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC GSK3B 2067/4885WNT1 2161/4885DYRK1A 4778/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC GSK3B 2067/4885WNT1 2161/4885DYRK1A 4778/4885

“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.