SCHEMBL9907665

SCHEMBL9907665

COC(=O)c1ccc2c(F)cnc(-c3ccncc3F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.47
CSNK2A1 P68400 3/20 0.45
PARP1 P09874 1/20 0.45
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
ROCK2 O75116 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
DHODH Q02127 1/20 0.41
RORC P51449 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ROCK1 Q13464 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL9907765 0.91 HTR5A (0.51) HTR5ACSNK2A1PARP1CSNK2A2CSNK2B
SCHEMBL9907648 0.90 HTR5A (0.50) HTR5ACSNK2A1PARP1CSNK2A2CSNK2B
SCHEMBL9907747 0.90 CSNK2A1 (0.42) HTR5ACSNK2A1PARP1CSNK2A2CSNK2B
SCHEMBL9907668 0.90 HTR5A (0.49) HTR5ACSNK2A1PARP1CSNK2A2CSNK2B
SCHEMBL9907636 0.85 HTR5A (0.64) HTR5APARP1CSNK2A2CSNK2BALDH1A1
SCHEMBL9907667 0.85 HTR5A (0.51) HTR5ACSNK2A1PARP1CSNK2A2CSNK2B
SCHEMBL9907503 0.84 HTR5A (0.53) HTR5APARP1
SCHEMBL9907626 0.84 HTR5A (0.63) HTR5ACSNK2A1PARP1CYP3A4CYP2C9
SCHEMBL9908000 0.82 HTR5A (0.47) HTR5ACYP2C9CYP1A2CYP2C19CYP11B1
SCHEMBL9907514 0.82 HTR5A (0.48) HTR5ACSNK2A1CSNK2A2CSNK2BRORC

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 1/4885CSNK2A1 4309/4885PARP1 1373/4885

“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.