SCHEMBL20249296

SCHEMBL20249296

CC(C)(C)c1ccc(OCC2CNC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
TDP1 Q9NUW8 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM1A O60341 3/20 0.37
KCNH2 Q12809 2/20 0.37
RCOR1 Q9UKL0 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL22043412 0.86 PARP15 (0.41) CHRNB2CHRNA4TDP1CHRNB4CHRNA3
SCHEMBL20249283 0.80 SLC6A2 (0.44) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL18291304 0.80 CHRNB2 (0.54) CHRNB2CHRNA4TDP1SLC6A2SLC6A4
SCHEMBL20249493 0.78 CHRNA3 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL29303910 0.78 TP53 (0.46) TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL20038040 0.76 SLC6A2 (0.40) CHRNB2CHRNA4TDP1SLC6A2SLC6A4
SCHEMBL18291072 0.76 SLC6A2 (0.40) CHRNB2CHRNA4TDP1SLC6A2SLC6A4
SCHEMBL18291281 0.76 SLC6A2 (0.40) CHRNB2CHRNA4TDP1SLC6A2SLC6A4
SCHEMBL20249294 0.76 EP300 (0.36) CHRNB2CHRNA4KDM1A
SCHEMBL21618371 0.75 TDP1 (0.49) TDP1SLC6A2SLC6A4SLC6A3KDM1A

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 CHRNB2 4863/4885CHRNA4 4628/4885TDP1 878/4885

“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.