SCHEMBL20255455

SCHEMBL20255455

O=C1CNCCN1c1cnc(I)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.41
PRMT5 O14744 1/20 0.36
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SOS1 Q07889 1/20 0.32
EED O75530 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
MAP4K1 Q92918 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC2 Q92769 1/20 0.30
WEE1 P30291 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
SCHEMBL18291480 0.83 PIM1 (0.44) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL20037520 0.83 PIM1 (0.41) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL20249425 0.78 PIM1 (0.39) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL255556 0.77 SLC6A2 (0.43) PIM1PRMT5SLC6A2SLC6A4SLC6A3
SCHEMBL5767440 0.76 PIM1 (0.44) PIM1PRMT5SLC6A2SLC6A4SLC6A3
SCHEMBL20255219 0.75 PRMT5 (0.39) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL29516737 0.74 PIM1 (0.42) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL1578400 0.74 BPTF (0.43) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL18740364 0.74 PIM1 (0.42) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL13998021 0.73 PLD1 (0.46) SLC6A4HDAC3HDAC2

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 PIM1 596/4885PRMT5 1897/4885TLR8 2343/4885

“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.