SCHEMBL401078

SCHEMBL401078

C[Si](C)(C)CCOCn1ccc(Nc2cncc(C(=O)O)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.34
DGAT1 O75907 4/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
KLKB1 P03952 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
PIK3CA P42336 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL401945 0.91 MAPT (0.34) MAPTDGAT1MEN1KMT2AKLKB1
SCHEMBL13071963 0.83 DGAT1 (0.32) DGAT1
SCHEMBL400169 0.82 CDK2 (0.38) MAPTDGAT1
SCHEMBL14781354 0.78 DGAT1 (0.34) SMN1; SMN2MAPTDGAT1KLKB1
SCHEMBL24719220 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MAPTDGAT1MEN1KMT2A
SCHEMBL3531426 0.77 KMT2A (0.32) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL27076442 0.77 CACNA1G (0.40) SMN1; SMN2MEN1KMT2ATSHRGAA
SCHEMBL5616826 0.75 DGAT1 (0.35) SMN1; SMN2MAPTDGAT1
SCHEMBL3531181 0.73 DGAT1 (0.43) SMN1; SMN2DGAT1LMNA
SCHEMBL3529847 0.73 ABL1 (0.35)

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017279-B1 AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY MSD KK (JP) 2013-09-04 EP disclosed
EP-2017279-B1 AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY MSD KK (JP) 2013-09-04 EP disclosed
EP-1813609-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING SELECTIVE AURORA-A INHIBITORY EFFECT MSD KK (JP) 2013-06-19 EP disclosed
EP-1813609-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING SELECTIVE AURORA-A INHIBITORY EFFECT MSD KK (JP) 2013-06-19 EP disclosed
EP-1828165-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2013-03-20 EP disclosed
EP-1828165-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2013-03-20 EP disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
US-7834018-B2 aurora kinase inhibitors; 2-(thiazol-2-ylamino)pyridine compounds as antitumor agents; 6-((4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl)methyl)-N-thiazol-2-ylpyridin-2-amine for example BANYU PHARMACEUTICAL CO., LTD (JP) 2010-11-16 US disclosed
EP-2017279-A1 NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
EP-2017279-A1 NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action OHKUBO MITSURU 2008-01-31 US disclosed
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action OHKUBO MITSURU 2008-01-31 US disclosed
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action OHKUBO MITSURU 2008-01-31 US disclosed
EP-1828165-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 EP disclosed
EP-1813609-A2 NOVEL AMINOPYRIDINE DERIVATIVES HAVING SELECTIVE AURORA-A INHIBITORY EFFECT BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP disclosed
EP-1813609-A2 NOVEL AMINOPYRIDINE DERIVATIVES HAVING SELECTIVE AURORA-A INHIBITORY EFFECT BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP disclosed
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2006-05-18 US disclosed
WO-2006046735-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 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 (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-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action AURKA, AURKC, AURKB SMN1; SMN2 4429/4885MAPT 2730/4885DGAT1 4777/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB SMN1; SMN2 4429/4885MAPT 2730/4885DGAT1 4777/4885

“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.