SCHEMBL16675985

SCHEMBL16675985

COc1ccc2[nH]nc(N)c2c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
ROCK1 Q13464 4/20 0.42
CLK4 Q9HAZ1 3/20 0.42
KDR P35968 3/20 0.42
PRKACA P17612 3/20 0.42
ABL1 P00519 3/20 0.42
MAP2K1 Q02750 2/20 0.42
CDK5 Q00535 2/20 0.42
MAP4K4 O95819 2/20 0.42
GSK3B P49841 2/20 0.42
NTRK1 P04629 2/20 0.42
LCK P06239 2/20 0.42
CSF1R P07333 2/20 0.42
FGFR1 P11362 2/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
PAK4 O96013 1/20 0.42
RET P07949 1/20 0.42

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
SCHEMBL31411486 0.80 HTR1A (0.40) HTR1AHTR7HTR6NTRK1MAPK8
SCHEMBL15818464 0.77 KDR (0.45) ROCK1CLK4KDRPRKACAABL1
SCHEMBL12325104 0.77 KDR (0.47) ROCK1CLK4KDRPRKACAABL1
SCHEMBL186075 0.77 KDR (0.42) ROCK1CLK4KDRPRKACAABL1
SCHEMBL30522124 0.76 GAA (0.56) HTR1AHTR7ROCK1CLK4KDR
SCHEMBL18526 0.76 GAA (0.56) HTR1AHTR7ROCK1CLK4KDR
SCHEMBL1967068 0.75 PRKAA1 (0.46) HTR1AHTR7HTR6CLK4CDK5
SCHEMBL16667670 0.73 KDR (0.41) KDRABL1PDGFRBGAAKDM4E
SCHEMBL187024 0.73 KDM4E (0.41) KDRABL1GAAKDM4EALDH1A1
SCHEMBL17928 0.73 CLK4 (0.43) ROCK1CLK4KDRPRKACAABL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 US 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-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D HTR1A 2102/4885HTR7 3499/4885HTR6 2866/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C HTR1A 3176/4885HTR7 4298/4885HTR6 3405/4885

“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.