SCHEMBL8147665

SCHEMBL8147665

CC(C)(C)OC(=O)N1CCC(Nc2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.49
PIK3CA P42336 1/20 0.46
PIM1 P11309 4/20 0.45
PIM2 Q9P1W9 4/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
USP30 Q70CQ3 3/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
BTK Q06187 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MET P08581 1/20 0.42
SCN9A Q15858 1/20 0.41
PARP1 P09874 1/20 0.40
IDH1 O75874 1/20 0.40

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
SCHEMBL4005798 0.95 PIM1 (0.46) PIK3CDPIK3CAPIM1PIM2HDAC1
SCHEMBL3934181 0.95 DNMT3A (0.49) PIK3CDPIK3CAPIM1PIM2HDAC1
SCHEMBL8254581 0.83 PIM1 (0.44) PIK3CDPIK3CAPIM1PIM2DNMT3A
SCHEMBL3920538 0.82 PDE4A (0.48) PIK3CDPIK3CAPIM1PIM2USP30
SCHEMBL3925691 0.82 NSD2 (0.51) PIK3CDPIK3CAPIM1PIM2DNMT3A
SCHEMBL4113388 0.80 SMARCA2 (0.44) HDAC1HDAC2USP30MET
SCHEMBL4003216 0.80 SMARCA2 (0.44) HDAC1HDAC2USP30MET
SCHEMBL4003219 0.80 SMARCA2 (0.44) HDAC1HDAC2USP30MET
SCHEMBL8154203 0.79 PDE4A (0.49) PIK3CAHDAC1HDAC2
SCHEMBL14288363 0.79 PI4KB (0.44) HDAC1HDAC2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (3 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PIK3CD 835/4885PIK3CA 1172/4885PIM1 4002/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PIK3CD 835/4885PIK3CA 1172/4885PIM1 4002/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PIK3CD 835/4885PIK3CA 1172/4885PIM1 4002/4885

“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.