SCHEMBL9907748

SCHEMBL9907748

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.55
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CSNK2A1 P68400 2/20 0.39
NOTUM Q6P988 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TTR P02766 1/20 0.39
MAP2K4 P45985 1/20 0.39
DYRK1A Q13627 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PARP1 P09874 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
SCHEMBL9907628 0.90 HTR5A (0.67) HTR5ANOTUMMAPK1KDM4EL3MBTL1
SCHEMBL9907502 0.90 HTR5A (0.67) HTR5ANOTUMMAPK1KDM4EL3MBTL1
SCHEMBL9907626 0.90 HTR5A (0.63) HTR5AATMCYP1A2CYP3A4CYP2C9
SCHEMBL9105219 0.87 HTR5A (0.54) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9907774 0.87 HTR5A (0.51) HTR5AATMCYP1A2CYP3A4CYP2C9
SCHEMBL9907760 0.86 HTR5A (0.58) HTR5AMAPK1
SCHEMBL9907781 0.86 HTR5A (0.54) HTR5AATMCYP1A2CYP3A4CYP2C9
SCHEMBL9908012 0.86 HTR5A (0.50) HTR5AATMCYP1A2CYP3A4CYP2C9
SCHEMBL9907780 0.86 HTR5A (0.53) HTR5ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9907765 0.85 HTR5A (0.51) 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 1/4885ATM 3785/4885CYP1A2 617/4885

“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.