SCHEMBL20249284

SCHEMBL20249284

CC(C)(C)c1ccc(N2CC3(CNC3)C2)nn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 3/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
KCNH2 Q12809 1/20 0.30
CYP3A4 P08684 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL20249295 0.88 ALDH1A1 (0.40) BPTFALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL20249303 0.85 ALDH1A1 (0.49) BPTFALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL20249311 0.82 HRH4 (0.33)
SCHEMBL20249336 0.80 CYP11B1 (0.42)
SCHEMBL20249270 0.79 TRPV1 (0.30)
SCHEMBL18291286 0.79 TLR9 (0.35) BPTFALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL20038231 0.77 CHRNB2 (0.35) BPTF
SCHEMBL20249317 0.77 SOS1 (0.32)
SCHEMBL20249338 0.77 HRH4 (0.34) HRH3
SCHEMBL18291245 0.76 HRH3 (0.38) BPTFALDH1A1HPGDHSD17B10CYP1A2

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 BPTF 770/4885ALDH1A1 944/4885HPGD 1213/4885

“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.