SCHEMBL9907387

SCHEMBL9907387

O=C(O)c1ccc2nccc(-c3c(Cl)cc(Cl)cc3Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.45
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
TSHR P16473 1/20 0.41
CDH1 P12830 1/20 0.40
APC P25054 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
KMO O15229 1/20 0.40
TTR P02766 3/20 0.40
IP6K1 Q92551 2/20 0.40
IP6K3 Q96PC2 2/20 0.40
IP6K2 Q9UHH9 2/20 0.40
ALB P02768 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
DRD1 P21728 1/20 0.40
OPRD1 P41143 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL9907363 0.90 DOT1L (0.44) MAPKAPK2CSNK2A2CSNK2BTSHRKMO
SCHEMBL9907348 0.86 MAPKAPK2 (0.44) MAPKAPK2CSNK2A2CSNK2BCDH1APC
SCHEMBL9907342 0.86 SRD5A2 (0.49) MAPKAPK2CSNK2A2CSNK2BCDH1APC
SCHEMBL9907351 0.84 HTR5A (0.42) MAPKAPK2CSNK2A2CSNK2BTSHRKMO
SCHEMBL9907381 0.84 HTT (0.49) CSNK2A2CSNK2BCNR1ALDH1A1L3MBTL1
SCHEMBL9907362 0.83 MAPKAPK2 (0.49) MAPKAPK2CSNK2A2CSNK2BTSHRCDH1
SCHEMBL9907809 0.82 HTR5A (0.54)
SCHEMBL9907344 0.82 HTR5A (0.43) MAPKAPK2CSNK2A2CSNK2BKMOTTR
SCHEMBL7689552 0.82 TSHR (0.48) MAPKAPK2CSNK2A2CSNK2BTSHRCDH1
SCHEMBL9907462 0.81 CSNK2A2 (0.43) MAPKAPK2CSNK2A2CSNK2BIP6K1IP6K3

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 7 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP 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
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 MAPKAPK2 4333/4885CSNK2A2 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.