SCHEMBL5385008

SCHEMBL5385008

Cc1cc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.36
IDH2 P48735 2/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
CAMK1D Q8IU85 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 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
SCHEMBL14533292 0.91 IDH2 (0.48) IDH2AXLMERTKLMNASMN1; SMN2
SCHEMBL5383222 0.79 HRH3 (0.42) IDH2MAPTGAALMNASMN1; SMN2
SCHEMBL5382758 0.77 ULK1 (0.36) IGF1RIDH2POLBGAALMNA
SCHEMBL5378863 0.77 HTT (0.47) IGF1RIDH2MAPTPOLBLMNA
SCHEMBL5387332 0.76 HTT (0.39) IDH2POLBLMNASMN1; SMN2HTT
SCHEMBL5383967 0.75 RAB9A (0.47) MAPTGAALMNASMN1; SMN2CYP1A2
SCHEMBL14428525 0.74 LMNA (0.58) MAPTGAALMNASMN1; SMN2CYP1A2
SCHEMBL5432113 0.74 MAPT (0.57) IDH2MAPTGAALMNASMN1; SMN2
SCHEMBL5391270 0.73 MAPT (0.39) IDH2MAPTGAALMNASMN1; SMN2
SCHEMBL5452169 0.72 ROCK1 (0.48) IDH2LMNAHTT

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 6 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-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 IGF1R 4466/4885IDH2 3327/4885AXL 3475/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD IGF1R 4492/4885IDH2 3493/4885AXL 4361/4885

“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.