SCHEMBL7918248

SCHEMBL7918248

COc1cncc(-c2cccc3ccc(C(=O)N=C(N)N)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
SLC9A1 P19634 5/20 0.47
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
CYP17A1 P05093 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTR5A P47898 7/20 0.43
MAP4K4 O95819 1/20 0.41

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
SCHEMBL7919380 0.85 SLC9A1 (0.48) SLC9A1HTR5A
SCHEMBL16502594 0.84 CYP11B1 (0.49) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7920221 0.84 MKNK1 (0.46) MKNK1MKNK2SLC9A1HTR5A
SCHEMBL16502773 0.84 HTR5A (0.48) SLC9A1HTR5A
SCHEMBL16502585 0.83 CYP11B1 (0.50) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7915997 0.82 SLC9A1 (0.48) MKNK1MKNK2SLC9A1CYP11B1HTR5A
SCHEMBL7918322 0.82 MKNK1 (0.49) MKNK1MKNK2SLC9A1CYP3A4HTR5A
SCHEMBL16502788 0.79 SLC9A1 (0.50) SLC9A1HTR5A
SCHEMBL16502781 0.79 HTR5A (0.48) MKNK1MKNK2SLC9A1HTR5A
SCHEMBL7919750 0.79 HTR5A (0.43) SLC9A1HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A MKNK1 4067/4885MKNK2 3819/4885SLC9A1 1256/4885

“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.