SCHEMBL9909212

SCHEMBL9909212

COC(=O)c1ccc2ccnc(-c3ccc(Cl)cc3C#N)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
MAP2K4 P45985 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SCN9A Q15858 3/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
F10 P00742 1/20 0.36
POLB P06746 1/20 0.36
ALPL P05186 1/20 0.36
PLAU P00749 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36

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
SCHEMBL9909159 0.87 PLAU (0.43) CSNK2A2CSNK2BKDM4EPLAUKDM4C
SCHEMBL9909154 0.86 F10 (0.48) NR1H4HPGDMAPTKDM4ETDP1
SCHEMBL9907377 0.85 ALPL (0.47) CSNK2A2CSNK2BMAP2K4MAPTSCN9A
SCHEMBL9907366 0.84 KMO (0.44) CSNK2A2CSNK2BMAP2K4MAPTKDM4E
SCHEMBL16502483 0.81 PLAU (0.42) MAP2K4HPGDNPSR1MAPTKDM4E
SCHEMBL9909260 0.81 HTR2B (0.44) PLAU
SCHEMBL9907392 0.81 CSNK2A2 (0.39) NR1H4CSNK2A2CSNK2BMAP2K4MAPT
SCHEMBL20530635 0.80 KDM4C (0.52) HPGDNPSR1MAPTKDM4ETDP1
SCHEMBL9909161 0.79 CYP11B1 (0.41) SCN9AALOX15HTTPLAU
SCHEMBL24126243 0.76 ESR1 (0.40) NR1H4HPGDKDM4ESCN9AALOX15

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 3 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-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 NR1H4 310/4885CSNK2A2 4132/4885CSNK2B 4303/4885

“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.