SCHEMBL9907697

SCHEMBL9907697

COC(=O)c1ccc2c(Cl)cnc(-c3ccc(Cl)cc3C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.45
HTR5A P47898 2/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
SLC2A1 P11166 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
ALPL P05186 1/20 0.39
GABRA5 P31644 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
NR1H2 P55055 1/20 0.37

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
SCHEMBL9907730 0.91 MAP2K4 (0.46) MAP2K4HTR5ACSNK2A2CSNK2BCSNK2A1
SCHEMBL9907675 0.89 HTR5A (0.54) MAP2K4HTR5ACSNK2A1MAPTSLC2A1
SCHEMBL9907754 0.89 HTR5A (0.47) MAP2K4HTR5ACSNK2A2CSNK2BCSNK2A1
SCHEMBL9909289 0.87 MEN1 (0.45) MAP2K4HTR5ACSNK2A2CSNK2BNPC1
SCHEMBL9907714 0.87 HTR5A (0.55) MAP2K4HTR5ACSNK2A2CSNK2BCSNK2A1
SCHEMBL9907758 0.87 HTR5A (0.43) MAP2K4HTR5ACSNK2A2CSNK2BCSNK2A1
SCHEMBL9907708 0.87 KDM4C (0.47) MAP2K4HTR5ACSNK2A2CSNK2BMAPT
SCHEMBL9908020 0.86 HTR5A (0.48) MAP2K4HTR5ACSNK2A2CSNK2BCSNK2A1
SCHEMBL9907676 0.86 HTR5A (0.40) MAP2K4HTR5ACSNK2A2CSNK2BCSNK2A1
SCHEMBL9907679 0.85 HTR5A (0.44) MAP2K4HTR5ACSNK2A2CSNK2BCSNK2A1

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 2 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

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 MAP2K4 3941/4885HTR5A 1/4885CSNK2A2 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.