SCHEMBL20249131

SCHEMBL20249131

CC(=O)N1CCC(c2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.52
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
SYK P43405 1/20 0.42
ENPP2 Q13822 3/20 0.42
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
DGAT1 O75907 1/20 0.40
CNR2 P34972 1/20 0.40
PRMT5 O14744 2/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PDE4B Q07343 1/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL20249459 0.82 KDM4E (0.40) QDPRDDB1CRBNWNT3A
SCHEMBL20255225 0.81 QDPR (0.56) QDPRSYKFPR1FPR2DGAT1
SCHEMBL17998801 0.81 QDPR (0.45) QDPR
SCHEMBL20249476 0.80 TLR9 (0.42) SYKTLR8TLR7
SCHEMBL20037910 0.80 QDPR (0.55) QDPRSYKENPP2DGAT1PRMT5
SCHEMBL608705 0.80 QDPR (0.55) QDPRSYKENPP2DGAT1PRMT5
SCHEMBL18711740 0.80 QDPR (0.55) QDPRSYKFPR1FPR2DGAT1
SCHEMBL15604151 0.80 KDM4E (0.39) DDB1CRBNDGAT1CYP11B2
SCHEMBL20249182 0.79 ESR2 (0.46) DDB1CRBNDGAT1CNR2
SCHEMBL27392629 0.79 KDM4E (0.64) QDPRSYKENPP2DGAT1PRMT5

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 QDPR 795/4885DDB1 1599/4885CRBN 1291/4885

“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.