SCHEMBL17088632

SCHEMBL17088632

CCC(C)N/C(=N/C(=O)c1ccc(Cl)c(F)c1)Nc1cc(C)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 9/20 0.37
HDAC6 Q9UBN7 1/20 0.36
MAPK1 P28482 2/20 0.36
IDO1 P14902 1/20 0.35
KCNH2 Q12809 1/20 0.35
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
KCNE1 P15382 2/20 0.34
KCNQ1 P51787 2/20 0.34
KCNQ5 Q9NR82 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
DYRK1A Q13627 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33

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
SCHEMBL18558613 0.87 HDAC6 (0.38) GPR139HDAC6MAPK1KCNQ3KCNQ2
SCHEMBL18558358 0.82 HDAC6 (0.38) HDAC6KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL19362624 0.81 ALPL (0.39) DYRK1A
SCHEMBL19362781 0.81 RAB9A (0.39) MAPK1IDO1KCNH2ALDH1A1GAA
SCHEMBL19362702 0.81 RAB9A (0.39) MAPK1IDO1KCNH2ALDH1A1GAA
SCHEMBL18558602 0.81 HDAC6 (0.36) HDAC6KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL18558055 0.79 HDAC3 (0.39) HDAC6MAPK1DYRK1A
SCHEMBL18558107 0.79 HDAC6 (0.35) HDAC6MAPK1IDO1KCNH2KCNQ3
SCHEMBL9921021 0.78 LMNA (0.37) HDAC6MAPK1ALDH1A1GAAHPGD
SCHEMBL9920884 0.78 HDAC6 (0.37) HDAC6MAPK1IDO1KCNH2KCNQ3

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
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 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 (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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME GPR139 4205/4885HDAC6 2034/4885MAPK1 2483/4885

“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.