Sugi Predict

Sugi Predict / Compounds / SCHEMBL9920702

SCHEMBL9920702

SCHEMBL9920702

O=C(/N=C(/Nc1cc(F)cc(Cl)c1)Nc1cc(C(F)F)[nH]n1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.42
▸ RAPGEF3 O95398 2/20 0.36
▸ RAPGEF4 Q8WZA2 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ PRKAB2 O43741 2/20 0.34
▸ PRKAG1 P54619 2/20 0.34
▸ PRKAA2 P54646 2/20 0.34
▸ PRKAA1 Q13131 2/20 0.34
▸ PRKAG3 Q9UGI9 2/20 0.34
▸ PRKAG2 Q9UGJ0 2/20 0.34
▸ PRKAB1 Q9Y478 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ EPAS1 Q99814 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ KIT P10721 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
SCHEMBL9921056 0.92 CYP2D6 (0.40) CYP2D6RAPGEF3RAPGEF4ALOX15MAPT
SCHEMBL9921100 0.88 CYP2D6 (0.39) CYP2D6RAPGEF3RAPGEF4ALOX15MAPT
SCHEMBL19362750 0.86 RAB9A (0.48) CYP2D6MAPTNPC1RAB9AKIT
SCHEMBL19362724 0.83 CYP2D6 (0.48) CYP2D6MAPTNPC1RAB9ACDK2
SCHEMBL16860011 0.82 CYP2D6 (0.54) CYP2D6RAPGEF3RAPGEF4ALOX15MAPT
SCHEMBL16811839 0.82 CYP2D6 (0.54) CYP2D6RAPGEF3RAPGEF4ALOX15MAPT
SCHEMBL9921104 0.80 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9921048 0.80 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19135677 0.80 CYP2D6 (0.57) CYP2D6ALOX15MAPTNPC1RAB9A
SCHEMBL9920710 0.79 MAPK1 (0.40) ALOX15

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 6 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-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-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 — — US disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 — — WO 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 CYP2D6 1861/4885RAPGEF3 162/4885RAPGEF4 134/4885

“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.