SCHEMBL20249134

SCHEMBL20249134

CC(C)(C)c1ccc(N2C[C@H](O)CC2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
DPP4 P27487 2/20 0.42
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA6 P23280 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL20249135 1.00 HRH3 (0.42) HRH3DPP4TSHRMAPK1CA12
SCHEMBL20249119 0.86 HSD11B1 (0.37) HRH3DPP4TSHRKMT2AMEN1
SCHEMBL20249378 0.86 HSD11B1 (0.37) HRH3DPP4TSHRKMT2AMEN1
SCHEMBL20037429 0.81 HRH3 (0.44) HRH3TSHRMAPK1KMT2AMEN1
SCHEMBL20037692 0.81 HRH3 (0.44) HRH3TSHRMAPK1KMT2AMEN1
SCHEMBL20037438 0.80 HRH3 (0.45) HRH3DPP4TSHRMAPK1CA12
SCHEMBL20037693 0.78 HRH3 (0.44) HRH3DPP4TSHRMAPK1CA12
SCHEMBL18291556 0.78 HRH3 (0.42) HRH3TSHRMAPK1KMT2AMEN1
SCHEMBL20249330 0.76 DPP4 (0.39) DPP4CA12CA1CA2CA4
SCHEMBL20249413 0.76 SLC6A2 (0.39) DPP4HSD11B1RAB9A

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 2304/4885DPP4 396/4885TSHR 2977/4885

“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.