SCHEMBL9920897

SCHEMBL9920897

O=C(/N=C(\Nc1cc(C(F)(F)F)[nH]n1)NC1CCCCCC1)c1ccc(C(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK25 O00506 2/20 0.39
CRHR1 P34998 1/20 0.36
HDAC4 P56524 3/20 0.36
CCNA2 P20248 4/20 0.35
CDK2 P24941 4/20 0.35
CCNA1 P78396 4/20 0.35
BTK Q06187 1/20 0.34
EPHX2 P34913 2/20 0.34
IDO1 P14902 2/20 0.34
GAA P10253 1/20 0.33
PTGES O14684 1/20 0.33
RET P07949 1/20 0.33
EPHX1 P07099 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACKR3 P25106 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL9920997 0.99 STK25 (0.39) STK25CRHR1HDAC4CCNA2CDK2
SCHEMBL9921043 0.89 STK25 (0.43) STK25HDAC4CCNA2CDK2CCNA1
SCHEMBL18558588 0.88 RAB9A (0.43) STK25CRHR1HDAC4IDO1GAA
SCHEMBL18558140 0.87 STK25 (0.43) STK25CRHR1HDAC4BTKEPHX2
SCHEMBL9921027 0.87 CCNA2 (0.43) STK25CRHR1CCNA2CDK2CCNA1
SCHEMBL18558261 0.87 CCNA2 (0.42) STK25CRHR1CCNA2CDK2CCNA1
SCHEMBL9920808 0.86 NPC1 (0.42) STK25CRHR1HDAC4CCNA2CDK2
SCHEMBL19041788 0.85 STK25 (0.40) STK25CCNA2CDK2CCNA1EPHX2
SCHEMBL9920715 0.82 PRKAB2 (0.40) STK25CDK2IDO1RETNPC1
SCHEMBL9920841 0.82 CCNA2 (0.41) STK25CRHR1HDAC4CCNA2CDK2

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 10 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
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 STK25 2813/4885CRHR1 4238/4885HDAC4 1902/4885

“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.