SCHEMBL9104476

SCHEMBL9104476

COC(=O)c1ccc2c(F)cnc(-c3ncc(F)cc3F)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.51
MAP2K4 P45985 1/20 0.43
PARP1 P09874 1/20 0.41
TTR P02766 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL9907670 0.89 HTR5A (0.65) HTR5AMAP2K4PARP1MAPTALDH1A1
SCHEMBL12874614 0.87 HTR5A (0.54) HTR5AMAP2K4PARP1MAPK1NPC1
SCHEMBL9907503 0.85 HTR5A (0.53) HTR5AMAP2K4PARP1NPC1LMNA
SCHEMBL9907703 0.85 MAP2K4 (0.54) HTR5AMAP2K4PARP1MAPK1NPC1
SCHEMBL9908021 0.84 HTR5A (0.55) HTR5AMAP2K4MAPK1
SCHEMBL9907752 0.83 HTR5A (0.51) HTR5AMAP2K4PARP1NPC1LMNA
SCHEMBL9907627 0.82 DYRK1A (0.47) HTR5AMAP2K4PARP1TTRDYRK1A
SCHEMBL9907517 0.82 HTR5A (0.63) HTR5AMAP2K4NPC1RAB9ASMN1; SMN2
SCHEMBL9907701 0.82 HTR5A (0.47) HTR5AMAP2K4MAPK1NPC1RAB9A
SCHEMBL9907626 0.82 HTR5A (0.63) HTR5AMAP2K4PARP1MAPK1CYP1A2

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 8 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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
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 1/4885MAP2K4 3941/4885PARP1 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.