SCHEMBL17088587

SCHEMBL17088587

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
STK25 O00506 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC9A1 P19634 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
VNN1 O95497 4/20 0.35
MAPK14 Q16539 1/20 0.35
NTRK1 P04629 1/20 0.34
CYP2D6 P10635 1/20 0.34
RORC P51449 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
MAPK1 P28482 1/20 0.33
GSK3B P49841 1/20 0.33
SLC2A1 P11166 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
SCHEMBL17088585 0.90 STK25 (0.37) STK25RXFP1PDK1PDK2PDK3
SCHEMBL17088588 0.88 GRM5 (0.39) GRM5STK25RXFP1CYP3A4CYP2C9
SCHEMBL9920826 0.87 CCNA2 (0.44) CYP2C9CYP2C19MAPK14MAPK1
SCHEMBL9921001 0.86 RET (0.37) STK25MAPK14CYP2D6
SCHEMBL17088964 0.82 ALOX15 (0.39) VNN1CYP2D6MAPK1
SCHEMBL9920996 0.81 RET (0.38) STK25MAPK14
SCHEMBL19360246 0.81 STK25 (0.39) STK25CYP2C19MAPK14CYP2D6
SCHEMBL9920931 0.81 MAPK1 (0.37) STK25MAPK14MAPK1
SCHEMBL19041543 0.81 STK25 (0.36) STK25MAPK14CYP2D6
SCHEMBL9920708 0.80 STK25 (0.36) STK25MAPK14CYP2D6

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 1418/4885STK25 2813/4885RXFP1 3822/4885

“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.