SCHEMBL9907488

SCHEMBL9907488

COC(=O)c1cc(C)c2nccc(-c3ccc(Cl)cc3F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
KMO O15229 2/20 0.40
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
GRM2 Q14416 1/20 0.36
MAP2K4 P45985 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
RORC P51449 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
CTSA P10619 1/20 0.35
NR4A2 P43354 1/20 0.35
ALPL P05186 1/20 0.35
PLA2G2A P14555 1/20 0.35

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
SCHEMBL9907509 0.90 MRGPRX4 (0.40) MAPK14GRM2MAP2K4MRGPRX4MAPT
SCHEMBL9907489 0.89 MAPK14 (0.42) MAPK14GRM2MAPTMEN1KMT2A
SCHEMBL9907431 0.89 MAPK14 (0.51) MAPK14KMOMAP2K4MAPTALPL
SCHEMBL9907455 0.89 ALPL (0.44) MAP2K4MRGPRX4MAPTALPL
SCHEMBL9907490 0.87 KMO (0.48) MAPK14KMOGSK3AGSK3BGRM2
SCHEMBL9909226 0.87 CCNT1 (0.44) MRGPRX4MEN1KMT2AALPL
SCHEMBL9907419 0.84 MAPK14 (0.41) MAPK14GSK3AGSK3BMAP2K4MAPT
SCHEMBL9907465 0.83 PDK2 (0.39) MAPK14CTSAPTGDR2
SCHEMBL9907474 0.82 MAPK14 (0.41) MAPK14MAP2K4
SCHEMBL9907349 0.82 HTT (0.45) KMOGSK3AGSK3BGRM2MAP2K4

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 MAPK14 3810/4885KMO 559/4885GSK3A 1502/4885

“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.