SCHEMBL9907462

SCHEMBL9907462

O=C(O)c1ccc2nccc(-c3c(F)cncc3F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.43
CSNK2B P67870 3/20 0.43
HTR5A P47898 3/20 0.39
P4HA1 P13674 1/20 0.38
IP6K1 Q92551 2/20 0.38
IP6K3 Q96PC2 2/20 0.38
IP6K2 Q9UHH9 2/20 0.38
PLAU P00749 1/20 0.37
KDM4E B2RXH2 2/20 0.37
KDM6B O15054 1/20 0.37
TET3 O43151 1/20 0.37
KDM4A O75164 1/20 0.37
BBOX1 O75936 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5C P41229 1/20 0.37
ASPH Q12797 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
TET2 Q6N021 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
SCHEMBL9108194 0.88 HTR5A (0.48) CSNK2A2CSNK2BHTR5AP4HA1IP6K1
SCHEMBL9907348 0.86 MAPKAPK2 (0.44) CSNK2A2CSNK2BHTR5APLAUKDM4E
SCHEMBL9907472 0.85 HTR5A (0.44) HTR5AIP6K1IP6K3IP6K2PLAU
Formaldehyde SCHEMBL9108251 0.85 HTR5A (0.46) CSNK2A2CSNK2BHTR5AP4HA1IP6K1
SCHEMBL9907457 0.85 HTT (0.47) KDM4EKDM6BMAPTKDM5CKDM4C
SCHEMBL9907834 0.83 HTR5A (0.61) HTR5A
SCHEMBL9907351 0.82 HTR5A (0.42) CSNK2A2CSNK2BHTR5AKDM4AALDH1A1
SCHEMBL9909165 0.82 LMNA (0.49) HTR5AKDM4EKDM6BMAPTKDM5A
SCHEMBL9907387 0.81 MAPKAPK2 (0.45) CSNK2A2CSNK2BIP6K1IP6K3IP6K2
SCHEMBL9907344 0.80 HTR5A (0.43) CSNK2A2CSNK2BHTR5AMAPKAPK2

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 CSNK2A2 4132/4885CSNK2B 4303/4885HTR5A 1/4885

“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.