SCHEMBL20249476

SCHEMBL20249476

CC(C)(C)c1ccc(C2CCN(CC(=O)O)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
CSF1R P07333 2/20 0.41
FLT3 P36888 1/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 2/20 0.40
JAK2 O60674 1/20 0.40
SYK P43405 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL18291303 0.83 TLR9 (0.48) TLR9TLR8TLR7DRD2DRD4
SCHEMBL20249459 0.82 KDM4E (0.40) CSF1RFLT3KDM4EGLAHTT
SCHEMBL20249131 0.80 QDPR (0.52) TLR8TLR7SYK
SCHEMBL20038337 0.80 JAK2 (0.42) TLR9TLR8TLR7CSF1RDRD2
SCHEMBL17998801 0.78 QDPR (0.45) DRD3
SCHEMBL15604151 0.77 KDM4E (0.39) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL20249182 0.76 ESR2 (0.46) CSF1RFLT3KDM4EGLAHTT
SCHEMBL15652766 0.75 SLC18A3 (0.48) TLR9TLR8TLR7DRD2DRD4
SCHEMBL20249132 0.75 TP53 (0.48) TLR8TLR7SYKHTTKMT2A
SCHEMBL25257655 0.74 SMN1; SMN2 (0.40) KDM4EGLAHTTKMT2ASMN1; SMN2

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 TLR9 1593/4885TLR8 2343/4885TLR7 903/4885

“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.