SCHEMBL398482

SCHEMBL398482

COC(=O)c1cccc(C(F)(F)F)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
CFTR P13569 5/20 0.41
TSHR P16473 1/20 0.41
PDK2 Q15119 2/20 0.41
P2RX7 Q99572 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
RBP4 P02753 1/20 0.40
NOTUM Q6P988 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
GLA P06280 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL8506796 0.82 SLC6A3 (0.42) LMNAGAACFTRTSHRPDK2
SCHEMBL400732 0.81 TAS2R14 (0.47) LMNAGAAP2RX7ALDH1A1KDM4E
SCHEMBL45490 0.79 LMNA (0.59) LMNAGAACFTRTSHRPDK2
SCHEMBL1508457 0.78 LMNA (0.50) LMNAGAACFTRTSHRPDK2
SCHEMBL726068 0.78 TAS2R14 (0.54) LMNAGAACFTRTSHRPDK2
SCHEMBL5239843 0.78 CTSS (0.51) LMNAGAACFTRTSHRPDK2
SCHEMBL2949430 0.78 LMNA (0.59) LMNAGAACFTRTSHRPDK2
SCHEMBL6332331 0.78 ALDH1A1 (0.48) LMNAGAACFTRTSHRALDH1A1
SCHEMBL22996549 0.76 ALDH1A1 (0.61) LMNAGAACFTRTSHRALDH1A1
SCHEMBL16961195 0.76 ALDH1A1 (0.47) LMNAGAACFTRTSHRALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013177349-A2 QUINAZOLINEDIONES AS TANKYRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 WO disclosed
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
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-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 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
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 LMNA 2184/4885GAA 3777/4885CFTR 4786/4885

“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.