SCHEMBL17088588

SCHEMBL17088588

CC(C)(C)N/C(=N/C(=O)c1cccc(C#N)c1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.39
RXFP1 Q9HBX9 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC9A1 P19634 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2D6 P10635 2/20 0.35
STK25 O00506 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
VNN1 O95497 2/20 0.35
ANO1 Q5XXA6 1/20 0.35
MAPK14 Q16539 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 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
SCHEMBL17088586 0.89 PRKAB2 (0.38) RXFP1PDK1PDK2PDK3PDK4
SCHEMBL17088587 0.88 GRM5 (0.37) GRM5RXFP1PDK1PDK2PDK3
SCHEMBL9920919 0.86 CCNA2 (0.46) CYP2D6CCNA2CDK2CCNA1MAPK1
SCHEMBL9920999 0.85 RET (0.38) CYP2D6STK25MAPK14PRKAB2PRKAG1
SCHEMBL9920990 0.80 RET (0.40) CYP2D6STK25MAPK14PRKAB2PRKAG1
SCHEMBL9921110 0.80 PRKAB2 (0.42) CYP2C19CYP2D6STK25MAPK14PRKAB2
SCHEMBL9920896 0.80 MAPK1 (0.41) STK25PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17088964 0.79 ALOX15 (0.39) CYP2D6VNN1MAPK1
SCHEMBL9920874 0.79 ALOX15 (0.39) CYP2D6STK25ANO1MAPK14PRKAB2
SCHEMBL9920715 0.79 PRKAB2 (0.40) CYP2D6STK25MAPK14PRKAB2PRKAG1

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 GRM5 1418/4885RXFP1 3822/4885PDK1 539/4885

“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.