SCHEMBL9921056

SCHEMBL9921056

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIT P10721 1/20 0.35
PRKAB2 O43741 4/20 0.35
PRKAG1 P54619 4/20 0.35
PRKAA2 P54646 4/20 0.35
PRKAA1 Q13131 4/20 0.35
PRKAG3 Q9UGI9 4/20 0.35
PRKAG2 Q9UGJ0 4/20 0.35
PRKAB1 Q9Y478 4/20 0.35
SLC6A9 P48067 2/20 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
SCHEMBL9921100 0.92 CYP2D6 (0.39) CYP2D6ALOX15NPC1RAB9AMAPT
SCHEMBL9920702 0.92 CYP2D6 (0.42) CYP2D6ALOX15NPC1RAB9AMAPT
SCHEMBL16865707 0.86 NPC1 (0.47) CYP2D6NPC1RAB9AMAPTCCNA2
SCHEMBL16811839 0.84 CYP2D6 (0.54) CYP2D6ALOX15NPC1RAB9AMAPT
SCHEMBL16860011 0.84 CYP2D6 (0.54) CYP2D6ALOX15NPC1RAB9AMAPT
SCHEMBL19361371 0.82 RAB9A (0.52) CYP2D6NPC1RAB9AMAPTCDK2
SCHEMBL9921050 0.82 CCNA2 (0.43) ALOX15NPC1RAB9AMAPTCCNA2
SCHEMBL9921068 0.81 PRKAB2 (0.51) ALOX15NPC1RAB9AMAPTCCNA2
SCHEMBL19362750 0.81 RAB9A (0.48) CYP2D6NPC1RAB9AMAPTNR1I2
SCHEMBL19041805 0.80 PRKAB2 (0.35) ALOX15NPC1RAB9ACCNA2CDK2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190175556-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-06-13 US disclosed
EP-3080089-B1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1FO-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-08 EP disclosed
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-20170354643-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-12-14 US disclosed
US-20170354643-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-12-14 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
US-9707211-B2 Trifluoromethyl pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-07-18 US disclosed
US-9707211-B2 Trifluoromethyl pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-07-18 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20160287559-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-10-06 US disclosed
US-20160287559-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-10-06 US disclosed
US-9266839-B2 Trifluoromethyl pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-02-23 US disclosed
US-9266839-B2 Trifluoromethyl pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-02-23 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
US-20150183745-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2015-07-02 US disclosed
US-20150183745-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2015-07-02 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 (5 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 1861/4885ALOX15 4300/4885NPC1 1877/4885
US-20170354643-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D CYP2D6 2844/4885ALOX15 4538/4885NPC1 1226/4885
US-20160287559-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D CYP2D6 2844/4885ALOX15 4538/4885NPC1 1226/4885
US-20190175556-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D CYP2D6 2844/4885ALOX15 4538/4885NPC1 1226/4885
US-20150183745-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D CYP2D6 2844/4885ALOX15 4538/4885NPC1 1226/4885

“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.