SCHEMBL4156485

SCHEMBL4156485

CN1CCN(Cc2cccc(-c3cncc(B4OC(C)(C)C(C)(C)O4)c3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
AOC3 Q16853 1/20 0.41
NMT1 P30419 3/20 0.41
LIPG Q9Y5X9 1/20 0.40
CHRM3 P20309 3/20 0.40
FAAH O00519 1/20 0.40
MC4R P32245 1/20 0.40
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
PARP1 P09874 1/20 0.39
KIT P10721 1/20 0.38

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
SCHEMBL3795067 0.89 PSMB8 (0.44) GSK3BDYRK1ALIPGPRKCQPRKCD
SCHEMBL722120 0.81 LPL (0.52) LIPGMC4R
SCHEMBL3801108 0.80 LIPG (0.45) LIPGPRKCQPRKCD
SCHEMBL3798360 0.79 LIPG (0.49) KDRLIPG
SCHEMBL31341362 0.78 LPL (0.49) LIPGCHRM3MC4RPARP1
SCHEMBL11992810 0.78 NMT1 (0.49) KDRGSK3BDYRK1AAOC3NMT1
SCHEMBL3665735 0.77 NMT1 (0.48) KDRGSK3BDYRK1AAOC3NMT1
SCHEMBL3800812 0.77 PRMT6 (0.53) GSK3BDYRK1A
SCHEMBL4159238 0.77 PIK3CD (0.42) PARP1
SCHEMBL429722 0.74 LMNA (0.53) LIPGMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 KDR 124/4885GSK3B 3021/4885DYRK1A 1550/4885

“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.