SCHEMBL18558663

SCHEMBL18558663

COC[C@H](C)N/C(=N/C(=O)c1ccc(S(C)(=O)=O)cc1)Nc1cc(-c2ccc(F)cc2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
TNIK Q9UKE5 3/20 0.43
CDK2 P24941 3/20 0.39
GAK O14976 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MARK1 Q9P0L2 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
APP P05067 1/20 0.37
CHRNA3 P32297 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL18557603 0.93 RAB9A (0.52) RAB9AGAKPDGFRBKITFLT3
SCHEMBL18558240 0.93 RAB9A (0.52) RAB9AGAKPDGFRBKITFLT3
SCHEMBL18558498 0.91 RAB9A (0.43) RAB9ATNIKCDK2GAKPDGFRB
SCHEMBL18557814 0.90 RAB9A (0.48) RAB9ATNIKGAKPDGFRBKIT
SCHEMBL18558194 0.89 RAB9A (0.47) RAB9ATNIKGAKPDGFRBKIT
SCHEMBL18558500 0.88 RAB9A (0.45) RAB9AGAKPDGFRBKITFLT3
SCHEMBL18558632 0.87 RAB9A (0.47) RAB9AGAKPDGFRBKITFLT3
SCHEMBL18558517 0.87 RAB9A (0.45) RAB9ATNIKGAKPDGFRBKIT
SCHEMBL18558181 0.85 RAB9A (0.45) RAB9AGAKPDGFRBKITFLT3
SCHEMBL18558193 0.84 RAB9A (0.50) RAB9AGAKPDGFRBKITFLT3

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 3 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
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 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 (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 RAB9A 519/4885TNIK 1956/4885CDK2 1940/4885

“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.