SCHEMBL4090586

SCHEMBL4090586

Nc1ccc(N2CCCOC2=O)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.36
TNKS O95271 1/20 0.36
LGMN Q99538 1/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
PIK3CA P42336 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
PIK3CD O00329 1/20 0.35
KDM1A O60341 6/20 0.34
CMA1 P23946 1/20 0.34
S100B P04271 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 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
SCHEMBL4089445 0.81 LMNA (0.59) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL4414346 0.81 DDB1 (0.43) F10TNKSKDM1ACMA1MEN1
SCHEMBL29348768 0.76 BCL2 (0.41) F10TNKSKDM1ACMA1MEN1
SCHEMBL8303458 0.76 DGAT1 (0.43) F10TNKSPIK3CDKDM1ACMA1
SCHEMBL15628295 0.76 TNKS (0.40) F10TNKSPIK3CDKDM1ACMA1
SCHEMBL16703464 0.75 RAD52 (0.45) TNKSCCNCCDK8PIK3CAKDM1A
SCHEMBL14258990 0.75 KDM1A (0.41) F10TNKSCCNCCDK8KDM1A
SCHEMBL3448892 0.75 DGAT1 (0.41) F10TNKSCCNCCDK8PIK3CA
SCHEMBL991958 0.75 MEN1 (0.50) TNKSHTR1AHTR1DHTR1BKDM1A
SCHEMBL30980971 0.75 KDM4E (0.40) F10PIK3CAHTR1AHTR1DHTR1B

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-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 F10 4132/4885TNKS 994/4885LGMN 4820/4885

“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.