SCHEMBL9907327

SCHEMBL9907327

COC(=O)c1ccc2cccc(-c3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
PTGER4 P35408 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TOP2A P11388 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 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
SCHEMBL2116282 0.84 PTGER4 (0.50) PTGER4SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL9907329 0.83 KDM4E (0.62) KDM4EKMT2AMMP2
SCHEMBL1722252 0.82 SLC6A2 (0.40) PTGER4SLC6A2SLC6A4SLC6A3
SCHEMBL2115826 0.80 PTGER4 (0.46) PTGER4KDM4E
SCHEMBL2116806 0.79 PTGER4 (0.45) PTGER4KDM4EALDH1A1KMT2AHPGD
SCHEMBL4995737 0.79 MAPK1 (0.50) PTGER4KDM4EKMT2A
SCHEMBL23714070 0.78 CYP1A2 (0.47) PTGER4KDM4EALDH1A1KMT2AMMP2
SCHEMBL847651 0.78 KDM4E (0.65) PTGER4KDM4EALDH1A1KMT2AHPGD
SCHEMBL31429914 0.78 KDM4E (0.48) PTGER4SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL6080778 0.78 EGFR (0.46) PDCD1CD274PTGER4TOP2AKDM4E

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
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

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 PDCD1 3182/4885CD274 3320/4885PTGER4 1195/4885

“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.