SCHEMBL400759

SCHEMBL400759

Cc1ccc(C(=O)O)c(C#N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
CLCN2 P51788 4/20 0.42
TTR P02766 2/20 0.41
NR4A1 P22736 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
AKR1B10 O60218 1/20 0.41
ABCB11 O95342 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
FABP2 P12104 1/20 0.41
RXRA P19793 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.41
AKR1C3 P42330 1/20 0.41
NR4A2 P43354 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL28363838 0.80 CYP1A2 (0.52) NOTUMKMT2AMEN1MRGPRX4TSHR
SCHEMBL4696826 0.80 KDM4E (0.48) NOTUMKMT2AHAAOCYP1A2CYP3A4
SCHEMBL17161719 0.79 CLCN2 (0.43) NOTUMCLCN2KMT2AMEN1MRGPRX4
SCHEMBL23699538 0.79 MAPT (0.38) NOTUMMRGPRX4TSHRCASP1SMN1; SMN2
SCHEMBL3107355 0.78 NOTUM (0.40) NOTUMKMT2AMEN1HAAOTSHR
SCHEMBL2483291 0.77 KDM4E (0.53) CLCN2TTRNR4A1KMT2AMEN1
SCHEMBL109811 0.77 CLCN2 (0.49) NOTUMCLCN2TTRNR4A1KMT2A
SCHEMBL1478873 0.76 TDP1 (0.44) NOTUMHAAOMAPT
SCHEMBL8141458 0.75 NOTUM (0.49) NOTUMCLCN2TTRNR4A1KMT2A
SCHEMBL29814908 0.75 CLCN2 (0.47) NOTUMCLCN2TTRNR4A1KMT2A

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
EP-2017279-B1 AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY MSD KK (JP) 2013-09-04 EP disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
US-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
EP-2017279-A1 NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP 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-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action RB1, AURKA, AURKC NOTUM 4701/4885CLCN2 2568/4885TTR 4619/4885

“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.