SCHEMBL5383971

SCHEMBL5383971

CCNc1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL5375711 0.87 LMNA (0.59) LMNAMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL5383329 0.81 TSHR (0.50) LMNAMEN1KMT2ANPSR1ALDH1A1
SCHEMBL5391359 0.81 MAPK1 (0.37) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5378897 0.80 KMT2A (0.35) LMNAMEN1KMT2ATSHRMAPK1
SCHEMBL5383977 0.80 MEN1 (0.41) LMNAMEN1KMT2ANPSR1ALDH1A1
SCHEMBL5383996 0.80 POLB (0.48) LMNAMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL5376397 0.80 TSHR (0.42) LMNAMEN1KMT2ANPSR1TSHR
SCHEMBL5457458 0.79 GAA (0.36) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5397104 0.79 GAA (0.36) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5388218 0.78 PIK3CA (0.41) LMNAMEN1KMT2AALDH1A1KDM4E

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-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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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 LMNA 4065/4885MEN1 3779/4885KMT2A 3738/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD LMNA 4008/4885MEN1 2632/4885KMT2A 3545/4885

“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.