SCHEMBL9907866

SCHEMBL9907866

Cc1cc(-c2ccc(F)cc2F)c2cc(C(=O)N=C(N)N)cc(C)c2n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.55
SLC9A1 P19634 6/20 0.44
GRM2 Q14416 1/20 0.38
JAK2 O60674 1/20 0.36

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
SCHEMBL9907870 0.89 HTR5A (0.52) HTR5ASLC9A1GRM2
SCHEMBL9907864 0.87 HTR5A (0.69) HTR5ASLC9A1
SCHEMBL9907826 0.85 HTR5A (0.51) HTR5ASLC9A1
SCHEMBL9907538 0.84 KMO (0.43) HTR5AGRM2JAK2
SCHEMBL9907865 0.83 HTR5A (0.59) HTR5ASLC9A1
SCHEMBL9907862 0.83 HTR5A (0.78) HTR5ASLC9A1GRM2
SCHEMBL9907534 0.81 ALPL (0.44)
SCHEMBL9907872 0.79 HTR5A (0.52) HTR5A
SCHEMBL9907877 0.77 HTR5A (0.70) HTR5ASLC9A1
SCHEMBL9907850 0.76 HTR5A (0.44) HTR5ASLC9A1GRM2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E HTR5A 1/4885SLC9A1 1181/4885GRM2 109/4885

“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.