SCHEMBL20249274

SCHEMBL20249274

CC(C)(C)c1ccc(OC2CNC2)nn1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC6A4 P31645 3/20 0.37
HTR1A P08908 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
CHRM1 P11229 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
SCHEMBL20249279 0.88 CHRNB2 (0.41) SLC6A2HTR1ACHRM1
SCHEMBL20249277 0.85 CHRNB2 (0.44) SLC6A2HTR1ACHRM1
SCHEMBL31532572 0.83 SLC6A4 (0.38) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL20249281 0.80
SCHEMBL20249294 0.76 EP300 (0.36)
SCHEMBL20249286 0.74 CLK2 (0.32)
SCHEMBL20249298 0.74 CLK2 (0.40)
SCHEMBL20249297 0.74 CLK2 (0.40)
SCHEMBL20037637 0.73 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4HTR1ACHRM1
SCHEMBL18291279 0.73 SLC6A4 (0.37) SLC6A2SLC6A3SLC6A4

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 SLC6A2 2659/4885SLC6A3 1635/4885SLC6A4 1825/4885

“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.