SCHEMBL9907767

SCHEMBL9907767

Cc1cnc(-c2ccncc2F)c2cc(C(=O)O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 6/20 0.54
DHODH Q02127 2/20 0.48
ADH5 P11766 1/20 0.47
CSNK2A2 P19784 7/20 0.47
CSNK2B P67870 7/20 0.47
SLC22A12 Q96S37 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
PARP1 P09874 1/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL9907667 0.89 HTR5A (0.51) HTR5ADHODHADH5CSNK2A2CSNK2B
SCHEMBL9907765 0.87 HTR5A (0.51) HTR5ADHODHCSNK2A2CSNK2BGPBAR1
SCHEMBL9907677 0.85 HTR5A (0.53) HTR5ADHODHADH5CSNK2A2CSNK2B
SCHEMBL9907737 0.85 HTR5A (0.71) HTR5ADHODHADH5CSNK2A2CSNK2B
SCHEMBL9907969 0.84 HTR5A (0.77) HTR5ADHODH
SCHEMBL9907760 0.84 HTR5A (0.58) HTR5AADH5CSNK2A2CSNK2B
SCHEMBL16502591 0.79 CSNK2A2 (0.43) DHODHADH5CSNK2A2CSNK2BSLC22A12
SCHEMBL9102403 0.79 HTR5A (0.71) HTR5AADH5CSNK2A2CSNK2B
SCHEMBL9907629 0.79 HTR5A (0.71) HTR5AADH5CSNK2A2CSNK2BSLC22A12
SCHEMBL9907654 0.78 HTR5A (0.54) HTR5ACSNK2A2CSNK2BPARP1CSNK2A1

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 1/4885DHODH 3018/4885ADH5 98/4885

“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.