SCHEMBL9907898

SCHEMBL9907898

Cc1nc2ccc(C(=O)N=C(N)N)cc2c(-c2ccccc2Cl)c1C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.64
SLC9A1 P19634 3/20 0.43
HTR7 P34969 6/20 0.43
HTR2B P41595 6/20 0.43
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KMT2A Q03164 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
SCHEMBL9907900 0.91 HTR5A (0.55) HTR5ASLC9A1HTR7HTR2BDRD2
SCHEMBL12874494 0.87 HTR5A (0.47) HTR5ASLC9A1KMT2A
SCHEMBL9907883 0.87 HTR5A (0.73) HTR5ASLC9A1HTR7HTR2B
SCHEMBL9907907 0.86 HTR5A (0.60) HTR5AHTR7HTR2B
SCHEMBL9907899 0.86 HTR5A (0.69) HTR5AHTR7HTR2B
SCHEMBL9907632 0.85 KMT2A (0.49) HTR5AKMT2A
SCHEMBL9907897 0.84 HTR5A (0.72) HTR5AHTR7HTR2B
SCHEMBL9907873 0.81 HTR5A (0.70) HTR5ASLC9A1HTR7HTR2BDRD2
SCHEMBL9907869 0.81 HTR5A (0.61) HTR5ASLC9A1
SCHEMBL12874527 0.80 KDM4E (0.43) HTR5AKMT2A

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-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

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 1181/4885HTR7 18/4885

“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.