SCHEMBL9907706

SCHEMBL9907706

COC(=O)c1ccc2c(Cl)cnc(-c3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
NEK1 Q96PY6 1/20 0.45
AXL P30530 1/20 0.45
SGK1 O00141 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
GABRA5 P31644 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR5A P47898 1/20 0.43
KIF11 P52732 1/20 0.43
CSNK2A1 P68400 1/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
EGFR P00533 1/20 0.42
NR1H2 P55055 1/20 0.42

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
SCHEMBL9908022 0.88 MAP2K4 (0.52) MAP2K4CSNK2A2CSNK2BGABRA5MEN1
SCHEMBL9907661 0.86 HTR5A (0.52) MEN1KMT2AHTR5AKIF11CSNK2A1
SCHEMBL9907716 0.85 PLAU (0.52) MAP2K4CSNK2A2CSNK2BHTR5ATP53
SCHEMBL9907701 0.85 HTR5A (0.47) MAP2K4NEK1AXLSGK1CAMKK2
SCHEMBL9907758 0.84 HTR5A (0.43) MAP2K4CSNK2A2CSNK2BHTR5AKIF11
SCHEMBL30710238 0.83 MAPK1 (0.46) CSNK2A2CSNK2BNEK1AXLSGK1
SCHEMBL9907674 0.83 HTR5A (0.52) CSNK2A2CSNK2BMEN1KMT2AHTR5A
SCHEMBL9907766 0.82 HTR5A (0.52) MAP2K4CSNK2A2CSNK2BGABRA5HTR5A
SCHEMBL9909298 0.81 HTR5A (0.49) MEN1KMT2AHTR5ACSNK2A1TP53
SCHEMBL9907698 0.81 HTR5A (0.43) MAP2K4CSNK2A2CSNK2BKMT2AHTR5A

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 MAP2K4 3941/4885CSNK2A2 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.