SCHEMBL9909211

SCHEMBL9909211

O=C(O)c1ccc2nccc(-c3ccc(C(F)(F)F)cc3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.45
IP6K1 Q92551 1/20 0.44
IP6K3 Q96PC2 1/20 0.44
IP6K2 Q9UHH9 1/20 0.44
SLC22A12 Q96S37 2/20 0.42
APP P05067 1/20 0.42
MAPK1 P28482 2/20 0.42
MAP2K4 P45985 2/20 0.42
MAPK6 Q16659 2/20 0.42
MAPKAPK3 Q16644 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
KDM4C Q9H3R0 1/20 0.40
PTGFR P43088 1/20 0.40
MAP4K4 O95819 2/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL9907390 0.90 PTGDR2 (0.45) PTGDR2IP6K1IP6K3IP6K2SLC22A12
SCHEMBL9909199 0.86 TLR2 (0.44) PTGDR2APPMAP4K4CHEK1AURKA
SCHEMBL9909222 0.84 HTR5A (0.52) PTGDR2MAPK1
SCHEMBL9907352 0.82 KMO (0.51) KDM4CAXLGSK3BSRD5A2
SCHEMBL9907403 0.82 JAK2 (0.45) PTGDR2IP6K1IP6K3IP6K2SLC22A12
SCHEMBL9909215 0.81 RXRA (0.52) PTGDR2IP6K1IP6K3IP6K2SLC22A12
SCHEMBL9907370 0.78 MAPKAPK2 (0.40) KDM4CCSNK2A1
SCHEMBL9909220 0.77 KIF11 (0.50) IP6K1IP6K3IP6K2SLC22A12CYP11B1
SCHEMBL9909198 0.77 KMO (0.43) IP6K1IP6K3IP6K2SLC22A12AURKA
SCHEMBL9909223 0.77 KMO (0.52) IP6K1IP6K3IP6K2SLC22A12KDR

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 4 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
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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 PTGDR2 977/4885IP6K1 4169/4885IP6K3 4056/4885

“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.