SCHEMBL9907668

SCHEMBL9907668

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 7/20 0.49
CSNK2A1 P68400 4/20 0.47
RORC P51449 1/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
PARP1 P09874 1/20 0.42
ROCK2 O75116 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DHODH Q02127 1/20 0.39
TGFBR1 P36897 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
RAB9A P51151 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
SCHEMBL9907669 0.90 CSNK2A2 (0.47) HTR5ACSNK2A1RORCCSNK2A2CSNK2B
SCHEMBL9907665 0.90 HTR5A (0.47) HTR5ACSNK2A1RORCCSNK2A2CSNK2B
SCHEMBL9907765 0.88 HTR5A (0.51) HTR5ACSNK2A1RORCCSNK2A2CSNK2B
SCHEMBL9907648 0.87 HTR5A (0.50) HTR5ACSNK2A1RORCCSNK2A2CSNK2B
SCHEMBL9907747 0.87 CSNK2A1 (0.42) HTR5ACSNK2A1RORCCSNK2A2CSNK2B
SCHEMBL9907674 0.86 HTR5A (0.52) HTR5ACSNK2A1RORCCSNK2A2CSNK2B
SCHEMBL9907677 0.86 HTR5A (0.53) HTR5ACSNK2A1RORCCSNK2A2CSNK2B
SCHEMBL9907714 0.85 HTR5A (0.55) HTR5ACSNK2A1RORCCSNK2A2CSNK2B
SCHEMBL9907731 0.85 HTR5A (0.67) HTR5ACSNK2A1RORCPARP1MAPT
SCHEMBL9907744 0.85 HTR5A (0.52) HTR5ACSNK2A1RORCCSNK2A2CSNK2B

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 1/4885CSNK2A1 4309/4885RORC 3704/4885

“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.