SCHEMBL398481

SCHEMBL398481

Cc1ccc(C(=O)O)c(C#N)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRB P28702 2/20 0.44
RXRA P19793 1/20 0.44
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
TAS2R14 Q9NYV8 3/20 0.37
SORT1 Q99523 2/20 0.36
NOTUM Q6P988 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
AR P10275 2/20 0.35
USP2 O75604 1/20 0.35
CYP2C19 P33261 1/20 0.35
HAAO P46952 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
SCHEMBL17672728 0.84 RXRB (0.44) RXRBRXRATAS2R14SORT1NOTUM
SCHEMBL28363838 0.76 CYP1A2 (0.52) NOTUMKDM4EALDH1A1HPGD
SCHEMBL4696826 0.76 KDM4E (0.48) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3531722 0.75 RXRB (0.47) RXRBRXRATAS2R14SORT1NOTUM
SCHEMBL400759 0.75 NOTUM (0.43) RXRANOTUMCYP2C19HAAO
SCHEMBL13179962 0.74 AR (0.36) KDM4EALDH1A1HPGDHSD17B10AR
SCHEMBL3107355 0.74 NOTUM (0.40) GRIA2GRIA4NOTUMKDM4EALDH1A1
SCHEMBL27304844 0.73 RXRB (0.49) RXRBRXRATAS2R14SORT1NOTUM
SCHEMBL1478873 0.72 TDP1 (0.44) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL24717809 0.71 NOTUM (0.37) NOTUMKDM4E

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 RXRB 2426/4885RXRA 2243/4885GRIA2 1270/4885

“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.