SCHEMBL9900774

SCHEMBL9900774

O=C(N=C(Nc1cncc(O)c1)Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
KIT P10721 3/20 0.43
MAPK14 Q16539 3/20 0.43
KDR P35968 2/20 0.43
LCK P06239 2/20 0.43
SRC P12931 2/20 0.43
CSF1R P07333 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
EPHB2 P29323 1/20 0.41
DDR1 Q08345 1/20 0.41
DDR2 Q16832 1/20 0.41
RXFP1 Q9HBX9 4/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL9900772 1.00 MEN1 (0.44) MEN1KMT2ATSHRMAPTRAB9A
SCHEMBL9900769 1.00 MEN1 (0.44) MEN1KMT2ATSHRMAPTRAB9A
SCHEMBL15479551 0.86 CYP11B1 (0.43) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL9938991 0.84 MAPT (0.45) MEN1KMT2ATSHRMAPTRAB9A
SCHEMBL9939801 0.82 ALDH1A1 (0.44) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL9939799 0.79 MAPT (0.43) MEN1KMT2AMAPTLMNAKDR
SCHEMBL9939794 0.77 MAPT (0.42) MEN1KMT2AMAPTLMNAKDR
SCHEMBL9939559 0.76 ALDH1A1 (0.44) MEN1KMT2AMAPTLMNAKDR
SCHEMBL17206619 0.76 EPHX2 (0.48) MEN1KMT2AMAPTLMNAHTT
SCHEMBL9924133 0.75 EPHX2 (0.47) MEN1KMT2AMAPTLMNAHTT

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-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
EP-2648710-B1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2016-06-15 EP disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2014-02-20 US disclosed
EP-2648710-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF Lycera Corporation (US) 2013-10-16 EP disclosed
WO-2012078869-A1 PYRIDONYL 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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B MEN1 3119/4885KMT2A 3290/4885TSHR 4698/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B MEN1 3119/4885KMT2A 3290/4885TSHR 4698/4885

“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.