SCHEMBL13699177

SCHEMBL13699177

CCCCc1cnc(-n2cccn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NFKB1 P19838 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
BRS3 P32247 1/20 0.36

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
SCHEMBL13699056 0.83 ADORA2A (0.35) ADORA2AALDH1A1KDM4EMAPTLMNA
SCHEMBL10162549 0.83 ADORA2A (0.40) ADORA2AALDH1A1KDM4EMAPTKMT2A
SCHEMBL4183301 0.80 LMNA (0.48) L3MBTL1TDP1NFKB1ALDH1A1KDM4E
SCHEMBL23094440 0.76 LMNA (0.40) ADORA2AALDH1A1KDM4EMAPTKMT2A
SCHEMBL10130932 0.75 ADORA2A (0.38) ADORA2AALDH1A1KDM4EMAPTKMT2A
SCHEMBL25428781 0.74 KDM5A (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18218832 0.73 ALDH1A1 (0.44) ADORA2AL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL32810 0.70 KDM4E (0.46) ADORA2AL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL12286453 0.70 ADORA2A (0.43) ADORA2AALDH1A1KDM4ECYP1A2ADORA3
SCHEMBL13514043 0.70 LMNA (0.50) ALDH1A1KDM4EMAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 ADORA2A 4014/4885L3MBTL1 2779/4885TDP1 2159/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 ADORA2A 4717/4885L3MBTL1 2288/4885TDP1 1684/4885

“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.