Sugi Predict

Sugi Predict / Compounds / SCHEMBL5378073

SCHEMBL5378073

SCHEMBL5378073

N[C@@H]1C[C@H](N)CN(c2nc(NNc3ccccc3F)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ PIM2 Q9P1W9 7/20 0.38
▸ PIM1 P11309 6/20 0.38
▸ PIM3 Q86V86 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ IDH2 P48735 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KDM1B Q8NB78 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL5400330 0.88 POLB (0.60) POLBPIM2PIM1PIM3KDM4E
SCHEMBL5383916 0.85 KDM1A (0.36) POLBPIM2PIM1PIM3KDM4E
SCHEMBL5388010 0.84 KMT2A (0.39) POLBKDM4EALDH1A1KDM1AP2RX7
SCHEMBL5382615 0.84 GBA1 (0.38) POLBP2RX7
SCHEMBL5381077 0.84 HTT (0.40) POLBALDH1A1IDH2
SCHEMBL5387045 0.81 LMNA (0.44) POLBALDH1A1IDH2
SCHEMBL14440330 0.80 POLB (0.54) POLBPIM2PIM1PIM3ALDH1A1
SCHEMBL5387483 0.78 MAPT (0.41) ALDH1A1HTR2AIDH2CHRNB4CHRNA3
SCHEMBL14503169 0.78 POLB (0.57) POLBALDH1A1HTR2A
SCHEMBL5382180 0.77 IDH2 (0.41) KDM4EIDH2CHRNB4CHRNA3P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 — — US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 — — US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 — — US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 — — 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 (2 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 POLB 760/4885PIM2 1754/4885PIM1 1810/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD POLB 284/4885PIM2 3161/4885PIM1 3050/4885

“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.