SCHEMBL20249104

SCHEMBL20249104

CC(C)(C)c1ncc(N2CCNCC2=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
MAP4K1 Q92918 1/20 0.34
HSD11B1 P28845 1/20 0.34
PIM1 P11309 2/20 0.33
WEE1 P30291 1/20 0.33
HTR6 P50406 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
LCAT P04180 1/20 0.32
OPRL1 P41146 4/20 0.32
OPRM1 P35372 3/20 0.32
MAPKAPK2 P49137 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
F10 P00742 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
SCHEMBL8306614 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAP4K1HSD11B1
SCHEMBL255543 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAP4K1PIM1
SCHEMBL11916166 0.75 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MAP4K1HSD11B1
SCHEMBL158236 0.74 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MAP4K1PIM1
SCHEMBL20249103 0.74 CHRNB2 (0.50) CHRNB2CHRNA4
SCHEMBL20249425 0.74 PIM1 (0.39) SLC6A2SLC6A4SLC6A3MAP4K1PIM1
SCHEMBL20249262 0.73 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HTR6OPRL1
SCHEMBL255556 0.73 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAP4K1HSD11B1
SCHEMBL3594508 0.72 CHRNB2 (0.56) SLC6A2SLC6A4SLC6A3MAP4K1WEE1
SCHEMBL21414395 0.72 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MAP4K1HSD11B1

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 1 patent. 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

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 2659/4885SLC6A4 1825/4885SLC6A3 1635/4885

“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.