SCHEMBL20249132

SCHEMBL20249132

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
HTT P42858 3/20 0.41
SYK P43405 1/20 0.41
PRMT5 O14744 2/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
IDO1 P14902 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM5 P08912 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL20037423 0.81 TLR8 (0.45) CYP11B1CYP11B2HTTSYKPRMT5
SCHEMBL17998801 0.81 QDPR (0.45) TP53
SCHEMBL20255224 0.80 SYK (0.42) CYP11B1CYP11B2HTTSYKPRMT5
SCHEMBL18291415 0.80 SYK (0.44) CYP11B1CYP11B2HTTSYKPRMT5
SCHEMBL15604151 0.80 KDM4E (0.39) TP53CYP11B2HTTLMNASMN1; SMN2
SCHEMBL4406610 0.78 TP53 (0.60) TP53LMNAKMT2A
SCHEMBL20249131 0.78 QDPR (0.52) CYP11B1CYP11B2SYKPRMT5TLR8
SCHEMBL20980189 0.77 TLR9 (0.39) TP53TLR8TLR7
SCHEMBL22388847 0.77 SMN1; SMN2 (0.47) TP53CYP11B2HTTLMNATSHR
SCHEMBL20249459 0.77 KDM4E (0.40) TP53HTTSMN1; SMN2KMT2A

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 TP53 220/4885CYP11B1 963/4885CYP11B2 1006/4885

“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.