SCHEMBL20249378

SCHEMBL20249378

CC(C)(C)c1ccc(N2CCC(O)CC2=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.37
AKR1C3 P42330 10/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
SYK P43405 2/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL20249119 1.00 HSD11B1 (0.37) HSD11B1AKR1C3HRH3DPP4MEN1
SCHEMBL20249134 0.86 HRH3 (0.42) HSD11B1HRH3DPP4MEN1KMT2A
SCHEMBL20249135 0.86 HRH3 (0.42) HSD11B1HRH3DPP4MEN1KMT2A
SCHEMBL20249330 0.84 DPP4 (0.39) AKR1C3DPP4MEN1KMT2A
SCHEMBL20037834 0.82 DRD3 (0.40) AKR1C3HRH3MEN1KMT2ATSHR
SCHEMBL22650730 0.81 ALOX5AP (0.40) AKR1C3HRH3PIK3CAMTOR
SCHEMBL20037471 0.80 HRH3 (0.39) AKR1C3HRH3MEN1KMT2AGPR119
SCHEMBL18291570 0.80 HRH3 (0.39) AKR1C3HRH3MEN1KMT2AGPR119
SCHEMBL20255094 0.79 HRH3 (0.38) HRH3LMNA
SCHEMBL20249098 0.77 MAPT (0.46) HSD11B1HRH3GPR119

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 1 patent. 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

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 HSD11B1 1477/4885AKR1C3 2289/4885HRH3 2304/4885

“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.