SCHEMBL20249200

SCHEMBL20249200

CC(C)(O)CCc1ccc(C(C)(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
CCR9 P51686 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2611191 0.85 CCR9 (0.36) CCR9KDM4EMEN1ALDH1A1LMNA
SCHEMBL15799967 0.81 TKT (0.42) CCR9KDM4EMEN1ALDH1A1LMNA
SCHEMBL16544500 0.79 SMN1; SMN2 (0.41) CCR9KDM4EMEN1ALDH1A1LMNA
SCHEMBL20037856 0.79 HRH3 (0.38) HRH3KDM4EMEN1ALDH1A1LMNA
SCHEMBL6471166 0.79 GABRP (0.47) HRH3KDM4EMEN1ALDH1A1LMNA
SCHEMBL20249204 0.79 CA2 (0.43) CCR9KDM4EMEN1ALDH1A1LMNA
SCHEMBL5050010 0.78 TAAR1 (0.47) CCR9KDM4EALDH1A1CYP1A2TSHR
SCHEMBL20249185 0.77 CA2 (0.45) CCR9KDM4EMEN1ALDH1A1LMNA
SCHEMBL619744 0.77 CCR9 (0.40) CCR9ALDH1A1CA2TKT
SCHEMBL10262595 0.76 NFKB1 (0.51) KDM4EMEN1ALDH1A1LMNACYP1A2

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 2304/4885CCR9 2183/4885KDM4E 470/4885

“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.