SCHEMBL5390779

SCHEMBL5390779

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4ncccc4O)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 14/20 0.41
PIM1 P11309 2/20 0.41
KDM6A O15550 1/20 0.40
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM5C P41229 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
PIM3 Q86V86 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
SCHEMBL5380610 0.90 PIM1 (0.42) GRM4PIM1PIM3PIM2
SCHEMBL5378015 0.86 KDM6A (0.42) KDM6AKDM4EKDM6BMAOAMAOB
SCHEMBL5390622 0.85 LMNA (0.46) KDM4E
SCHEMBL14504581 0.83 PIM1 (0.56) PIM1
SCHEMBL5387722 0.83 TERT (0.43) KDM6AKDM4EKDM6BMAOAMAOB
SCHEMBL5392253 0.83 EGLN1 (0.56) KDM6AKDM4EKDM6BMAOAMAOB
SCHEMBL5458359 0.82 MAPT (0.39) RET
SCHEMBL5383122 0.80 MAOA (0.48) MAOAMAOB
SCHEMBL5376176 0.79 PLAU (0.47)
SCHEMBL5387678 0.79 GAA (0.44) KDM4E

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 GRM4 4233/4885PIM1 1810/4885KDM6A 2353/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD GRM4 4244/4885PIM1 3050/4885KDM6A 2950/4885

“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.