SCHEMBL20249478

SCHEMBL20249478

C[C@H](CO)N1CCC(=O)N(c2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
GALR3 O60755 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
AKR1C3 P42330 5/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
IDH1 O75874 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
PKM P14618 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL20249475 1.00 HRH3 (0.36) HRH3LMNAHTTGALR3TSHR
SCHEMBL20249310 0.90 HRH3 (0.33) HRH3LMNAHTTGALR3TSHR
SCHEMBL20249339 0.87 HRH3 (0.43) HRH3LMNATSHRKDM4ETP53
SCHEMBL20037459 0.85 PIK3CA (0.38) HRH3AKR1C3CYP1A2CYP2D6CYP2C9
SCHEMBL18291315 0.85 DRD3 (0.41) HRH3LMNAAKR1C3CYP1A2CYP2D6
SCHEMBL20255269 0.84 HRH3 (0.37) HRH3AKR1C3FGFR1FGFR2FGFR3
SCHEMBL20038404 0.84 HRH3 (0.37) HRH3AKR1C3FGFR1FGFR2FGFR3
SCHEMBL20037448 0.83 HRH3 (0.37) HRH3CYP1A2CYP2D6CYP2C9
SCHEMBL20249440 0.80 KCNH2 (0.35) HRH3LMNAHTTGALR3TSHR
SCHEMBL20249457 0.80 KCNH2 (0.35) HRH3LMNAHTTGALR3TSHR

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 2304/4885LMNA 3947/4885HTT 3754/4885

“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.