SCHEMBL20249275

SCHEMBL20249275

CC(C)(C)c1ccc(N2CC(=O)NCC2=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
DPP4 P27487 2/20 0.36
OPRL1 P41146 1/20 0.35
PIK3CA P42336 4/20 0.32
MTOR P42345 4/20 0.32
RPTOR Q8N122 2/20 0.32
MLST8 Q9BVC4 2/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDH1 O75874 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCND3 P30281 1/20 0.30
CDK9 P50750 1/20 0.30
CDK6 Q00534 1/20 0.30
TP53 P04637 1/20 0.30
LOX P28300 1/20 0.30

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
SCHEMBL18291683 0.81 ALDH1A1 (0.41) ALDH1A1DPP4MEN1KMT2ACCNT1
SCHEMBL18291705 0.80 ALDH1A1 (0.40) ALDH1A1DPP4PIK3CAMTORCCNT1
SCHEMBL20038131 0.78 ALDH1A1 (0.39) ALDH1A1DPP4
SCHEMBL20249262 0.76 SLC6A2 (0.51) OPRL1TP53
SCHEMBL20249413 0.76 SLC6A2 (0.39) DPP4OPRL1HSD11B1
SCHEMBL20249397 0.76 OPRL1 (0.40) OPRL1LOX
SCHEMBL20249255 0.75 CYP1A2 (0.41) DPP4OPRL1HSD11B1MEN1KMT2A
SCHEMBL20249114 0.75 CCNT1 (0.46) DPP4OPRL1PIK3CAMTORHSD11B1
SCHEMBL25026927 0.73 CRBN (0.53) ALDH1A1OPRL1
SCHEMBL20249115 0.73 SLC6A2 (0.42) TP53CSF1RKCNH2

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 ALDH1A1 944/4885DPP4 396/4885OPRL1 4655/4885

“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.