SCHEMBL3672043

SCHEMBL3672043

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.53
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
HIF1A Q16665 3/20 0.38
DGAT1 O75907 1/20 0.38
USP30 Q70CQ3 2/20 0.37
CSF1R P07333 1/20 0.36
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
CA12 O43570 2/20 0.35
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
CA2 P00918 2/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 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
SCHEMBL3670988 0.83 AAK1 (0.41) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL1141510 0.81 AAK1 (0.57) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL65546 0.81 AAK1 (0.53) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL29539567 0.80 AAK1 (0.49) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL3800262 0.80 AAK1 (0.49) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL16793978 0.78 PRMT5 (0.58) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL3665204 0.77 AAK1 (0.43) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL22664660 0.77 AAK1 (0.52) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL16813062 0.77 AAK1 (0.52) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL29418593 0.77 AAK1 (0.52) AAK1PRMT5WDR77BACE1BACE2

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 4 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
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 AAK1 1365/4885PRMT5 968/4885WDR77 2784/4885

“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.