SCHEMBL3931902

SCHEMBL3931902

CC(=O)Nc1nc(N2CCC(C(=O)OC(C)(C)C)[C@@H]2N)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC1 Q13547 5/20 0.33
HDAC2 Q92769 5/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
ADORA2A P29274 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
GAK O14976 1/20 0.31
PIK3CD O00329 1/20 0.31
SCN9A Q15858 2/20 0.31

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
SCHEMBL3931751 0.88 PDE4A (0.36) HDAC10HDAC6HDAC1HDAC2GAK
SCHEMBL3924846 0.88 PDE4A (0.36) HDAC10HDAC6HDAC1HDAC2GAK
SCHEMBL4116905 0.85 CNR1 (0.33) PIK3CD
SCHEMBL3931900 0.77 PDE10A (0.42) ADORA3ADORA2A
SCHEMBL4522864 0.75 HDAC10 (0.44) HDAC10HDAC1HDAC2PIK3CAADORA3
SCHEMBL4121557 0.75 PDE4D (0.51) PIK3CAMTORGAKPIK3CD
SCHEMBL4519575 0.74 JAK2 (0.43) HDAC1HDAC2PIK3CAMTORADORA3
SCHEMBL13676229 0.74 PIK3CD (0.46) HDAC1HDAC2PIK3CAMTORPIK3CD
SCHEMBL4534012 0.74 GAK (0.39) HDAC10HDAC1HDAC2PIK3CAMTOR
SCHEMBL4121651 0.73 JAK2 (0.44) PIK3CAMTORADORA3SMN1; SMN2ADORA2A

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 4 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-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

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 HDAC10 4188/4885HDAC6 4814/4885HDAC1 4445/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP HDAC10 4188/4885HDAC6 4814/4885HDAC1 4445/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP HDAC10 4188/4885HDAC6 4814/4885HDAC1 4445/4885

“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.