SCHEMBL20249306

SCHEMBL20249306

CC(C)(C)c1ccc(N2CC[C@@H](N)C2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.43
HSD11B1 P28845 3/20 0.34
ROCK2 O75116 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MCHR1 Q99705 1/20 0.32
DGAT1 O75907 1/20 0.32
TP53 P04637 1/20 0.32
DHFR P00374 1/20 0.32
GCK P35557 1/20 0.32
GCKR Q14397 1/20 0.32
AKR1C3 P42330 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL20249312 0.92 PIM1 (0.38) PIM1AKR1C3
SCHEMBL20249285 0.91 AKR1C3 (0.39) PIM1HSD11B1AKR1C3
SCHEMBL18291484 0.81 PIM1 (0.48) PIM1CYP3A4TSHRTDP1MAPT
SCHEMBL20249330 0.81 DPP4 (0.39) DPP4TP53DHFRGCKGCKR
SCHEMBL18291678 0.78 PIM1 (0.43) PIM1ROCK2CYP3A4TSHRTDP1
SCHEMBL20249345 0.76 CDK4 (0.43) TDP1MAPTMCHR1
SCHEMBL20249225 0.76 SLC6A2 (0.45) HSD11B1ROCK2CYP3A4DPP4SIGMAR1
SCHEMBL20249231 0.76 SLC6A2 (0.45) HSD11B1ROCK2CYP3A4DPP4SIGMAR1
SCHEMBL20249119 0.76 HSD11B1 (0.37) HSD11B1TSHRDPP4AKR1C3
SCHEMBL20249378 0.76 HSD11B1 (0.37) HSD11B1TSHRDPP4AKR1C3

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 PIM1 596/4885HSD11B1 1477/4885ROCK2 3168/4885

“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.