SCHEMBL20975432

SCHEMBL20975432

Cn1ccc2cccnc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
LMNA P02545 2/20 0.48
MMP2 P08253 2/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP2D6 P10635 1/20 0.48
MMP9 P14780 1/20 0.48
NFKB1 P19838 1/20 0.48
MMP8 P22894 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL21931157 0.81 MAPT (0.44) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL27277552 0.78 LMNA (0.48) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL22214046 0.77 HTR2A (0.44) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL27252002 0.77 HTR2A (0.48) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL19153313 0.73 CCR1 (0.42) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL23758074 0.73 HTR2A (0.44) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL29845529 0.72 PARP1 (0.50) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL256379 0.72 PARP1 (0.50) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL13377372 0.71 BRD4 (0.42) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL27262438 0.71 CCR1 (0.55) KDM4ECCR1CCR5CCR8PSMD14

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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO disclosed
US-20210107896-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2021-04-15 US disclosed
US-10899739-B2 Macrophage migration inhibitory factor inhibitors, and methods of making and using same YALE UNIVERSITY (US) 2021-01-26 US disclosed
US-20190144424-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same YALE UNIVERSITY 2019-05-16 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 (4 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 KDM4E 4298/4885CCR1 693/4885CCR5 1585/4885
US-20210107896-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 KDM4E 651/4885CCR1 309/4885CCR5 843/4885
US-20190144424-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 KDM4E 651/4885CCR1 309/4885CCR5 843/4885
US-10899739-B2 Macrophage migration inhibitory factor inhibitors, and methods of making and using same MIF, MMP12, METAP1 KDM4E 651/4885CCR1 309/4885CCR5 843/4885

“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.