SCHEMBL20249173

SCHEMBL20249173

CC(C)(C)c1ccc(CN2CCCOCC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
LTA4H P09960 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KCNJ1 P48048 1/20 0.42
PDE1B Q01064 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL2739651 0.94 HRH3 (0.51) HRH3SMN1; SMN2HIF1AEPAS1ALDH1A1
SCHEMBL12673217 0.87 HRH3 (0.50) HRH3ALDH1A1
SCHEMBL26351870 0.86 HRH3 (0.53) HRH3ALDH1A1
SCHEMBL14747471 0.86 HRH3 (0.53) HRH3ALDH1A1
SCHEMBL18291378 0.82 HRH3 (0.53) HRH3SMN1; SMN2HIF1AEPAS1LTA4H
SCHEMBL20037985 0.79 HRH3 (0.53) HRH3SMN1; SMN2HIF1AEPAS1LTA4H
SCHEMBL18291425 0.79 HRH3 (0.53) HRH3SMN1; SMN2HIF1AEPAS1LTA4H
SCHEMBL20249249 0.79 PPARD (0.43) HRH3LTA4H
SCHEMBL10223577 0.79 LMNA (0.50) ALDH1A1LMNAMAPT
SCHEMBL18713020 0.79 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPT

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 HRH3 2304/4885SMN1; SMN2 1690/4885HIF1A 3422/4885

“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.