SCHEMBL9920877

SCHEMBL9920877

CC(C)(C)N/C(=N/C(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
ALPL P05186 1/20 0.35
KCNJ11 Q14654 2/20 0.35
ORAI1 Q96D31 2/20 0.35
RAB9A P51151 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 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
SCHEMBL17509141 1.00 MEN1 (0.36) MEN1ALDH1A1KMT2AMAPK1PRKAB2
SCHEMBL9921034 0.91 HDAC6 (0.39) MAPK1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19041761 0.90 PRKAB2 (0.35) MAPK1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL18558134 0.90 ALDH1A1 (0.34) ALDH1A1RAB9ACYP2D6NPC1CCNA2
SCHEMBL9921076 0.89 CHRNA1 (0.36) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL9920875 0.86 RAB9A (0.35) MEN1KMT2AKCNJ11ORAI1RAB9A
SCHEMBL9921121 0.86 IDO1 (0.38) ALDH1A1MAPK1ALPLKCNJ11ORAI1
SCHEMBL17088576 0.85 PRKAB2 (0.37) MEN1ALDH1A1KMT2AMAPK1PRKAB2
SCHEMBL18558333 0.85 SNCA (0.41) ALPLMAPTHDAC6
SCHEMBL18558269 0.84 MAPT (0.45) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1

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 7 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-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-20160039769-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-02-11 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 (2 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 MEN1 3346/4885ALDH1A1 2132/4885KMT2A 3948/4885
US-20160039769-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME MEN1 3346/4885ALDH1A1 2132/4885KMT2A 3948/4885

“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.