SCHEMBL9907366

SCHEMBL9907366

COC(=O)c1ccc2ccnc(-c3ccc(Cl)cc3F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.44
MAP2K4 P45985 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
TDO2 P48775 1/20 0.41
CSNK2A1 P68400 1/20 0.39
RORC P51449 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
GABRA5 P31644 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 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
SCHEMBL9907377 0.88 ALPL (0.47) MAP2K4CSNK2A2CSNK2BALOX15HTT
SCHEMBL9907375 0.86 KMO (0.53) KMOCSNK2A2CSNK2BRORCKDM4C
SCHEMBL9907429 0.84 ALOX15 (0.37) MAP2K4TDO2RORCALOX15HTT
SCHEMBL9907392 0.84 CSNK2A2 (0.39) MAP2K4CSNK2A2CSNK2BCSNK2A1ALOX15
SCHEMBL9909161 0.84 CYP11B1 (0.41) ALOX15HTTPLAU
SCHEMBL9909212 0.84 NR1H4 (0.40) MAP2K4CSNK2A2CSNK2BALOX15HTT
SCHEMBL9907514 0.83 HTR5A (0.48) MAP2K4CSNK2A2CSNK2BCSNK2A1RORC
SCHEMBL9907714 0.82 HTR5A (0.55) MAP2K4CSNK2A2CSNK2BCSNK2A1RORC
SCHEMBL9907349 0.81 HTT (0.45) KMOMAP2K4CSNK2A2CSNK2BTDO2
SCHEMBL16502523 0.80 PLAU (0.44) MAP2K4MAPTMEN1KMT2ACASP3

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 KMO 559/4885MAP2K4 3941/4885CSNK2A2 4132/4885

“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.