SCHEMBL20038337

SCHEMBL20038337

O=C(O)CN1CCC(c2ccc(I)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
SYK P43405 1/20 0.42
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CSF1R P07333 1/20 0.40
GSK3B P49841 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
DRD2 P14416 2/20 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) JAK2SYKTLR9TLR8TLR7
SCHEMBL20249476 0.80 TLR9 (0.42) JAK2SYKTLR9TLR8TLR7
SCHEMBL15652766 0.78 SLC18A3 (0.48) JAK2SYKTLR9TLR8TLR7
SCHEMBL20037910 0.77 QDPR (0.55) SYKTLR9TLR8TLR7KDM4E
SCHEMBL20038275 0.77 KDM4E (0.40) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL24125721 0.76 DRD4 (0.54) DRD4
SCHEMBL7202138 0.76 SLC18A3 (0.62) KMT2ASIGMAR1DRD2DRD4DRD3
SCHEMBL17420698 0.75 KDM4E (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL23816922 0.74 SLC18A3 (0.60) KMT2ASIGMAR1DRD2DRD4DRD3
SCHEMBL20255477 0.74 ESR2 (0.50) 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 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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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 JAK2 29/4885SYK 609/4885TLR9 1593/4885

“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.