SCHEMBL13699161

SCHEMBL13699161

CCNC/C=C/c1cccnc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 1/20 0.38
AMY1A P0DUB6 1/20 0.38
PRKCI P41743 2/20 0.35
NAPRT Q6XQN6 1/20 0.34
BACE1 P56817 1/20 0.33
TLR8 Q9NR97 1/20 0.33
POLB P06746 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
VCP P55072 2/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL13699051 0.84 ALDH1A1 (0.39) NOS2NOS3NOS1AMY1APRKCI
SCHEMBL14292504 0.82 NOS2 (0.44) NOS2NOS3NOS1AMY1APRKCI
SCHEMBL14149889 0.82 NOS2 (0.44) NOS2NOS3NOS1AMY1APRKCI
SCHEMBL24061463 0.79 TLR8 (0.51) NOS2NOS3NOS1AMY1APRKCI
SCHEMBL13699227 0.75 NOS3 (0.38) NOS2NOS3NOS1AMY1ANAPRT
SCHEMBL13699045 0.74 NOS3 (0.40) NOS2NOS3NOS1AMY1ANAPRT
SCHEMBL10072090 0.72 NOS3 (0.48) NOS2NOS3NOS1AMY1ANAPRT
SCHEMBL20347735 0.72 NOS3 (0.48) NOS2NOS3NOS1AMY1ANAPRT
SCHEMBL22953744 0.71 FLT3 (0.36) TRIM24TRIM33KDM4EALDH1A1GAA
SCHEMBL25024149 0.70 AMY1A (0.47) NOS2NOS3NOS1AMY1APRKCI

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 NOS2 1543/4885NOS3 2072/4885NOS1 2008/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 NOS2 1544/4885NOS3 735/4885NOS1 2014/4885

“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.