SCHEMBL9921035

SCHEMBL9921035

CC(C)(C)c1cc(N/C(=N\C(=O)c2ccc(Cl)cc2)NC(C2CC2)C2CC2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK25 O00506 4/20 0.46
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNA1 P78396 3/20 0.42
MAPK14 Q16539 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.36
IDO1 P14902 2/20 0.35
BRAF P15056 3/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 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
SCHEMBL9921073 0.90 CCNA2 (0.42) STK25CCNA2CDK2CCNA1NPC1
SCHEMBL9921003 0.81 STK25 (0.47) STK25CCNA2CDK2CCNA1MAPK14
SCHEMBL9921007 0.78 STK25 (0.45) STK25CCNA2CDK2CCNA1MAPK14
SCHEMBL9920683 0.77 MAPK1 (0.44) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL9921110 0.75 PRKAB2 (0.42) STK25CCNA2CDK2CCNA1MAPK14
SCHEMBL9921027 0.74 CCNA2 (0.43) STK25CCNA2CDK2CCNA1NPC1
SCHEMBL9920701 0.74 MAPK1 (0.42) NPC1RAB9AMAPT
SCHEMBL9920668 0.73 MAPK1 (0.42) CCNA2CDK2CCNA1MAPK14NPC1
SCHEMBL9920651 0.73 MAPK1 (0.44) NPC1RAB9AMAPT
SCHEMBL19360246 0.73 STK25 (0.39) STK25CCNA2CDK2CCNA1MAPK14

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 2813/4885CCNA2 2502/4885CDK2 1940/4885

“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.