SCHEMBL20249308

SCHEMBL20249308

CC(C)N1CCN(c2ccc(C(C)(C)C)nc2)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PARP1 P09874 1/20 0.34
IDH1 O75874 2/20 0.33
DPP4 P27487 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
AOC2 O75106 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
MET P08581 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL20249368 0.89 HRH3 (0.37) HRH3LMNAGAAIDH1TRPV4
SCHEMBL20249339 0.88 HRH3 (0.43) HRH3LMNAGAATRPV4CYP3A4
SCHEMBL20249390 0.87 IDH1 (0.33) HRH3IDH1DPP4TP53
SCHEMBL20249310 0.87 HRH3 (0.33) HRH3LMNAIDH1DPP4TSHR
SCHEMBL17055336 0.82 HRH3 (0.39) HRH3PARP1KDM4EALDH1A1MAPT
SCHEMBL20249115 0.82 SLC6A2 (0.42) HRH3LMNATSHRTP53DRD3
SCHEMBL20038198 0.81 HRH3 (0.39) HRH3PARP1CYP3A4CYP2D6TSHR
SCHEMBL20249300 0.81 PIK3CD (0.43) HRH3PARP1IDH1DPP4DRD3
SCHEMBL17108484 0.80 MAPT (0.49) HRH3PARP1KDM4EALDH1A1MAPT
SCHEMBL20249342 0.79 PARP1 (0.35) HRH3PARP1DRD3KCNH2

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 3947/4885GAA 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.