SCHEMBL21970985

SCHEMBL21970985

CN(C)c1ccc(N(C)C)c2c1N(C)C(c1ccccc1)N2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.49
GAA P10253 2/20 0.37
RECQL P46063 1/20 0.35
RELA Q04206 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GLI1 P08151 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHEK1 O14757 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
EP300 Q09472 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL21971388 0.84 PDGFRB (0.54) PDGFRBGAARECQLALDH1A1GLI1
SCHEMBL21970984 0.79 PDGFRB (0.56) PDGFRBGAARECQLPOLBALDH1A1
SCHEMBL21972248 0.72 PDGFRB (0.69) PDGFRBGAARELAALDH1A1
SCHEMBL29403090 0.70 PDGFRB (0.64) PDGFRBGAARECQLPOLBALDH1A1
SCHEMBL993337 0.70 PDGFRB (0.64) PDGFRBGAARECQLPOLBALDH1A1
SCHEMBL21972263 0.70 PDGFRB (0.49) PDGFRBGAAALDH1A1
SCHEMBL2334136 0.69 POLB (0.44) PDGFRBGAARECQLPOLBALDH1A1
SCHEMBL21971384 0.68 PDGFRB (0.37) PDGFRBGAAPOLBALDH1A1GLI1
SCHEMBL21970983 0.68 PDGFRB (0.31) PDGFRBGAAALDH1A1
SCHEMBL21970994 0.68 GAA (0.32) PDGFRBGAAALDH1A1

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 2517/4885GAA 4816/4885RECQL 4044/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 PDGFRB 2499/4885GAA 4803/4885RECQL 3860/4885

“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.