SCHEMBL20037593

SCHEMBL20037593

CC(C)(C)c1ccc(N2CCNCC2=O)nn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.35
PRMT5 O14744 1/20 0.35
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
BPTF Q12830 3/20 0.33
ALDH1A1 P00352 1/20 0.32
MAP4K1 Q92918 1/20 0.32
MCHR1 Q99705 1/20 0.31
GRM5 P41594 1/20 0.30
EED O75530 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 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
SCHEMBL18291188 0.81 TLR8 (0.38) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL18291714 0.79 PIM1 (0.37) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL20255219 0.78 PRMT5 (0.39) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL20249425 0.77 PIM1 (0.39) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL20249449 0.76 SOS1 (0.34) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL20249099 0.75 BPTF (0.57) SLC6A4BPTFALDH1A1
SCHEMBL1578400 0.74 BPTF (0.43) PIM1PRMT5TLR8TLR7SLC6A2
Hydrochloric Acid SCHEMBL1964613 0.72 BPTF (0.42) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL1725182 0.72 PIM1 (0.39) PIM1PRMT5TLR8TLR7SLC6A2
SCHEMBL18436110 0.71 PIM1 (0.39) PIM1PRMT5TLR8TLR7ALDH1A1

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 3 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
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 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.