SCHEMBL20249204

SCHEMBL20249204

CC(C)(C)c1ccc(CCCO)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
PPARA Q07869 1/20 0.41
NFKB1 P19838 4/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL20249185 0.95 CA2 (0.45) CA2PPARANFKB1MAPTL3MBTL1
SCHEMBL15799967 0.89 TKT (0.42) CA2PPARANFKB1MAPTL3MBTL1
SCHEMBL10262595 0.84 NFKB1 (0.51) CA2NFKB1MAPTL3MBTL1KDM4E
SCHEMBL25101288 0.82 RAB9A (0.49) CA2NFKB1MAPTL3MBTL1KDM4E
SCHEMBL14028936 0.82 TKT (0.49) CA2NFKB1MAPTL3MBTL1KDM4E
SCHEMBL31067892 0.82 TKT (0.49) CA2NFKB1MAPTL3MBTL1KDM4E
SCHEMBL619744 0.81 CCR9 (0.40) CA2PPARAALDH1A1TKTNPC1
SCHEMBL11937229 0.81 RAB9A (0.51) CA2NFKB1MAPTL3MBTL1KDM4E
SCHEMBL20249198 0.80 HSD17B10 (0.49) NFKB1MAPTL3MBTL1KDM4EMEN1
SCHEMBL16544500 0.79 SMN1; SMN2 (0.41) CA2NFKB1MAPTL3MBTL1KDM4E

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 CA2 2465/4885PPARA 821/4885NFKB1 1237/4885

“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.