SCHEMBL21971003

SCHEMBL21971003

CN(C)c1ccc(N(C)C)c(C2N(C)c3ccccc3N2C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.58
▸ LMNA P02545 2/20 0.44
▸ P2RX4 Q99571 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ RELA Q04206 2/20 0.33
▸ MAPT P10636 3/20 0.32
▸ APP P05067 3/20 0.32
▸ SNCA P37840 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ NFKB1 P19838 1/20 0.31

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
SCHEMBL21971400 0.87 PDGFRB (0.58) PDGFRBLMNAP2RX4HTTALDH1A1
SCHEMBL21970991 0.84 PDGFRB (0.51) PDGFRBLMNAP2RX4HTTALDH1A1
SCHEMBL20508364 0.81 PDGFRB (0.53) PDGFRBLMNAHTTALDH1A1KDM4E
SCHEMBL21971403 0.80 LMNA (0.63) PDGFRBLMNAALDH1A1KDM4EGAA
SCHEMBL21971001 0.80 LMNA (0.51) PDGFRBLMNAHTTALDH1A1KDM4E
SCHEMBL21971009 0.77 LMNA (0.63) PDGFRBLMNAALDH1A1KDM4EGAA
SCHEMBL20739438 0.77 PDGFRB (0.57) PDGFRBLMNAP2RX4HTTALDH1A1
SCHEMBL21970632 0.75 PDGFRB (0.42) PDGFRBLMNAHTTALDH1A1KDM4E
SCHEMBL2498918 0.74 PDGFRB (1.00) PDGFRBLMNAHTTALDH1A1KDM4E
SCHEMBL21971402 0.72 PDGFRB (0.47) PDGFRBLMNAHTTALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046655-B2 Compound and method for producing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 — — US disclosed
US-20200140394-A1 NOVEL COMPOUND AND METHOD FOR PRODUCING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-07 — — 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 (2 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-20200140394-A1 NOVEL COMPOUND AND METHOD FOR PRODUCING SAME CBR3, NR2E3, NR5A2 PDGFRB 2517/4885LMNA 4733/4885P2RX4 2712/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 PDGFRB 2499/4885LMNA 4570/4885P2RX4 2879/4885

“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.

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