SCHEMBL9907443

SCHEMBL9907443

COC(=O)c1ccc2ncc(C)c(-c3ccc(F)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.53
MTOR P42345 3/20 0.53
PIK3CD O00329 2/20 0.53
NR1H2 P55055 2/20 0.44
MAP2K4 P45985 1/20 0.44
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PAX8 Q06710 1/20 0.43
TNF P01375 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NR2F2 P24468 1/20 0.43
MCL1 Q07820 1/20 0.43
KLF5 Q13887 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL9907356 0.88 NR1H2 (0.49) NR1H2MAPTHTTKDM4EMEN1
SCHEMBL9907498 0.87 PIK3CD (0.50) PIK3CAMTORPIK3CDMAP2K4MAPT
SCHEMBL9907450 0.86 NR4A2 (0.46) PIK3CAMTORPIK3CDMAPTKDM4E
SCHEMBL9907357 0.85 MAPT (0.46) PIK3CAMTORPIK3CDNR1H2MAPT
SCHEMBL15500515 0.85 PIK3CA (0.43) PIK3CAMTORPIK3CDKDM4EMEN1
SCHEMBL9907396 0.85 HTR5A (0.52) PIK3CAMTORPIK3CDMAPTHTT
SCHEMBL9907397 0.83 CREBBP (0.45) PIK3CAMTORPIK3CDNR1H2MAPT
SCHEMBL9907442 0.83 HTR5A (0.48) PIK3CAMTORPIK3CDNR1H2MAPT
SCHEMBL9907444 0.81 HTR5A (0.47) PIK3CAMTORPIK3CDNR1H2MAPT
SCHEMBL9907379 0.81 HTR5A (0.43) PIK3CAMTORPIK3CDNR1H2MAPT

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 PIK3CA 3492/4885MTOR 2245/4885PIK3CD 2543/4885

“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.