SCHEMBL20249142

SCHEMBL20249142

CC(C)(C)c1ccc(CN2CCOCCC2=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 3/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
GRIA2 P42262 2/20 0.36
NAMPT P43490 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ACACB O00763 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL20249207 0.89 CYP11B2 (0.40) CCR9GRIA2
SCHEMBL20249210 0.84 L3MBTL1 (0.49) CCR9GRIA2L3MBTL1ACACBHRH3
SCHEMBL18291558 0.83 NAMPT (0.45) NAMPTL3MBTL1CHRM1PRMT5WDR77
SCHEMBL18291113 0.81 PIK3CA (0.39) HIF1AEPAS1GRIA2L3MBTL1CHRM1
SCHEMBL2739651 0.80 HRH3 (0.51) HIF1AEPAS1ALDH1A1HRH3
SCHEMBL20249148 0.77 CDK4 (0.40) CCR9ALDH1A1PRMT5WDR77
SCHEMBL20249173 0.75 HRH3 (0.49) HIF1AEPAS1ALDH1A1HRH3
SCHEMBL20249153 0.75 ALDH1A1 (0.51) CCR9CHRM1ALDH1A1
SCHEMBL20249205 0.75 SIGMAR1 (0.41)
SCHEMBL23242455 0.73 SMN1; SMN2 (0.48) L3MBTL1HRH3

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 CCR9 2183/4885HIF1A 3422/4885EPAS1 3583/4885

“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.