Sugi Predict

Sugi Predict / Compounds / SCHEMBL3931900

SCHEMBL3931900

SCHEMBL3931900

CC(=O)Nc1nc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.42
▸ MAP4K4 O95819 2/20 0.41
▸ SYK P43405 1/20 0.40
▸ ADORA2A P29274 3/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ SMPD3 Q9NY59 1/20 0.39
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ SUV39H2 Q9H5I1 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL3927951 0.88 MAP4K4 (0.47) PDE10AMAP4K4SYKCKS1BSKP1
SCHEMBL3924839 0.88 MAP4K4 (0.47) PDE10AMAP4K4SYKCKS1BSKP1
SCHEMBL3924627 0.86 PDE10A (0.46) PDE10AMAP4K4CKS1BSKP1SKP2
SCHEMBL4116901 0.86 PDE10A (0.46) PDE10AMAP4K4CKS1BSKP1SKP2
SCHEMBL4519575 0.78 JAK2 (0.43) ADORA2AADORA3
SCHEMBL3931902 0.77 HDAC10 (0.33) ADORA2AADORA3
SCHEMBL13948828 0.77 PDE4A (0.39) SMPD3
SCHEMBL4522864 0.77 HDAC10 (0.44) ADORA2AADORA3
SCHEMBL4121651 0.77 JAK2 (0.44) ADORA2AADORA3
SCHEMBL4526038 0.76 ABCG2 (0.44) MAP4K4ADORA2AADORA3MET

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 PDE10A 382/4885MAP4K4 1881/4885SYK 3115/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE10A 382/4885MAP4K4 1881/4885SYK 3115/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE10A 382/4885MAP4K4 1881/4885SYK 3115/4885

“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.