SCHEMBL19954568

SCHEMBL19954568

CC(C)c1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.38
KDM5A P29375 7/20 0.37
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
NR3C2 P08235 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALK Q9UM73 1/20 0.33
EGFR P00533 1/20 0.33
CNR1 P21554 2/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL19954569 0.93 PKM (0.41) IRAK4PKMGAANR3C2ALDH1A1
SCHEMBL19954520 0.87 KDM5A (0.39) KDM5ANR3C2ALDH1A1MAPTTHRB
SCHEMBL19954601 0.85 KDM5A (0.38) KDM5ANR3C2ALDH1A1MAPTTHRB
SCHEMBL18164013 0.85 GAA (0.44) IRAK4KDM5APKMGAANR3C2
SCHEMBL18161163 0.84 KDM5A (0.49) KDM5AGAACNR1LMNA
SCHEMBL19954626 0.83 KDM4E (0.43) KDM5AALDH1A1MAPTTHRBHPGD
SCHEMBL19954655 0.81 GAA (0.36) GAANR3C2
SCHEMBL19954599 0.81 NR3C2 (0.39) PKMGAANR3C2ALDH1A1MAPT
SCHEMBL19954594 0.80 GAA (0.46) KDM5AGAA
SCHEMBL19954591 0.80 MAPK1 (0.35) IRAK4GAANR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 US 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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof ATP5F1A, ATP5ME, ATP5F1D IRAK4 992/4885KDM5A 2043/4885PKM 1021/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D IRAK4 992/4885KDM5A 2043/4885PKM 1021/4885

“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.