SCHEMBL9920668

SCHEMBL9920668

CC(N/C(=N/C(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)[nH]n1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
MAPK3 P27361 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
MAPK14 Q16539 1/20 0.37
CYP2D6 P10635 2/20 0.36
ALOX15 P16050 1/20 0.36
RET P07949 2/20 0.35
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE2A O00408 1/20 0.35
FOXO1 Q12778 1/20 0.35
NPY5R Q15761 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CCNA2 P20248 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
SCHEMBL9921009 0.94 MAPK3 (0.44) MAPK1MAPK3NPC1RAB9AMAPT
SCHEMBL9920705 0.92 MAPK3 (0.41) MAPK1MAPK3NPC1RAB9AMAPT
SCHEMBL9920683 0.88 MAPK1 (0.44) MAPK1NPC1RAB9AMAPTCYP2D6
SCHEMBL9920651 0.85 MAPK1 (0.44) MAPK1MAPK3NPC1RAB9AMAPT
SCHEMBL9920701 0.84 MAPK1 (0.42) MAPK1NPC1RAB9AMAPTPDE2A
SCHEMBL9920823 0.82 MAPK1 (0.42) MAPK1NPC1RAB9AMAPTRET
SCHEMBL9920924 0.82 MAPK1 (0.42) MAPK1NPC1RAB9AMAPTRET
SCHEMBL9920709 0.82 MAPK1 (0.42) MAPK1NPC1RAB9AMAPTRET
SCHEMBL9921110 0.81 PRKAB2 (0.42) NPC1RAB9AMAPTMAPK14CYP2D6
SCHEMBL9921073 0.80 CCNA2 (0.42) NPC1RAB9AMAPTCYP2D6ALOX15

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 MAPK1 2483/4885MAPK3 3359/4885NPC1 1877/4885

“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.