SCHEMBL20249285

SCHEMBL20249285

CC(C)(C)c1ccc(N2CCCCC(N)C2=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.39
PIM1 P11309 3/20 0.37
FPR2 P25090 8/20 0.35
FPR1 P21462 2/20 0.35
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
HSD11B1 P28845 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 0.96 PIM1 (0.38) AKR1C3PIM1FPR2FPR1PIM3
SCHEMBL20249306 0.91 PIM1 (0.43) AKR1C3PIM1HSD11B1
SCHEMBL20038032 0.83 PIM1 (0.41) AKR1C3PIM1FPR2FPR1PIM3
SCHEMBL20038031 0.80 PIM1 (0.39) AKR1C3PIM1FPR2FPR1PIM3
SCHEMBL20037639 0.80 AKR1C3 (0.39) AKR1C3PIM1PIM3PIM2
SCHEMBL18291533 0.78 PIM1 (0.41) AKR1C3PIM1FPR2FPR1PIM3
SCHEMBL17207179 0.77 AKR1C3 (0.50) AKR1C3
SCHEMBL20249345 0.76 CDK4 (0.43) FPR2
SCHEMBL20249377 0.76 SLC6A2 (0.55) AKR1C3
SCHEMBL20255254 0.76 PIM1 (0.40) AKR1C3PIM1FPR2FPR1PIM3

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 AKR1C3 2289/4885PIM1 596/4885FPR2 4846/4885

“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.