SCHEMBL9907626

SCHEMBL9907626

COC(=O)c1ccc2c(F)cnc(-c3c(F)cncc3F)c2c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 13/20 0.63
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CSNK2A1 P68400 2/20 0.40
MAP2K4 P45985 1/20 0.40
PARP1 P09874 2/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 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
SCHEMBL9907664 0.92 HTR5A (0.67) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9907780 0.90 HTR5A (0.53) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9907748 0.90 HTR5A (0.55) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12874614 0.90 HTR5A (0.54) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9907517 0.90 HTR5A (0.63) HTR5AMAP2K4
SCHEMBL9907686 0.89 HTR5A (0.60) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9907774 0.89 HTR5A (0.51) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9105219 0.89 HTR5A (0.54) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9907781 0.88 HTR5A (0.54) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9908012 0.88 HTR5A (0.50) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19

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 1/4885CYP1A2 617/4885CYP3A4 847/4885

“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.