SCHEMBL20249121

SCHEMBL20249121

CC(C)(C)c1ccc(CN2CCC(O)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
CD274 Q9NZQ7 2/20 0.46
NPC1 O15118 1/20 0.46
HRH3 Q9Y5N1 2/20 0.43
ACHE P22303 1/20 0.43
POLB P06746 1/20 0.43
PPARD Q03181 1/20 0.42
KCNH2 Q12809 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
PDCD1 Q15116 1/20 0.41
LTA4H P09960 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL20249418 0.92 ALDH1A1 (0.47) ALDH1A1KDM4EGAARAB9AKMT2A
SCHEMBL20249158 0.92 ALDH1A1 (0.47) ALDH1A1KDM4EGAARAB9AKMT2A
SCHEMBL20249249 0.87 PPARD (0.43) KMT2AHRH3PPARDKCNH2GPR119
SCHEMBL20249125 0.86 HRH3 (0.45) KMT2AHRH3ACHEPPARDKCNH2
SCHEMBL20249106 0.86 LTA4H (0.46) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL20249107 0.85 CCR9 (0.41) KMT2AMEN1CD274PPARDPDCD1
SCHEMBL20249111 0.84 S1PR5 (0.51) ALDH1A1KMT2AMEN1HRH3PPARD
SCHEMBL20249108 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EGAAACHEPOLB
SCHEMBL20249506 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EGAAACHEPOLB
SCHEMBL20249510 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EGAAACHEPOLB

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 ALDH1A1 944/4885KDM4E 470/4885GAA 2747/4885

“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.