Sugi Predict

Sugi Predict / Compounds / SCHEMBL5388010

SCHEMBL5388010

SCHEMBL5388010

Cc1ccccc1NNc1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ KHK P50053 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GAA P10253 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ P2RX7 Q99572 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL5382615 0.84 GBA1 (0.38) KMT2ANPSR1GBA1HTTKHK
SCHEMBL5378073 0.84 POLB (0.46) POLBALDH1A1P2RX7KDM4EKDM1A
SCHEMBL5381077 0.81 HTT (0.40) KMT2ACYP2C9NTSR1NPSR1HTT
SCHEMBL5387045 0.81 LMNA (0.44) KMT2ACYP3A4CYP2C9NPSR1GBA1
SCHEMBL14428528 0.80 CDK2 (0.35) GAAALDH1A1LMNA
SCHEMBL5380938 0.78 LMNA (0.44) KMT2ACYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL5392983 0.78 MAPK1 (0.43) GBA1HTTGAAALDH1A1LMNA
SCHEMBL14504384 0.78 GBA1 (0.55) KMT2ACYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL5378924 0.77 HTT (0.51) KMT2ANPSR1GBA1HTTMEN1
SCHEMBL5391154 0.76 ROCK1 (0.38) KMT2ANPSR1HTTMEN1GAA

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 KMT2A 3738/4885CYP3A4 812/4885CYP2C9 1056/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD KMT2A 3545/4885CYP3A4 650/4885CYP2C9 864/4885

“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.