SCHEMBL19601326

SCHEMBL19601326

Cc1sc(C(C)(C)O)nc1Cn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.50
TNF P01375 3/20 0.47
GLA P06280 1/20 0.47
BLM P54132 1/20 0.47
ACHE P22303 2/20 0.47
PIK3CD O00329 1/20 0.47
POLB P06746 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CNR1 P21554 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
NTSR1 P30989 1/20 0.47
MC3R P41968 1/20 0.47
NOTUM Q6P988 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
GDA Q9Y2T3 1/20 0.47
NR2E1 Q9Y466 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL17682263 0.91 ADORA2B (0.47) ADORA2BTNFGLABLMACHE
SCHEMBL17682213 0.85 KMT2A (0.46) ADORA2BPOLBLMNASMN1; SMN2RXFP1
SCHEMBL17682320 0.82 ADORA2B (0.57) ADORA2BTNFGLABLMACHE
SCHEMBL19601320 0.81 ADORA2B (0.52) ADORA2BTNFGLABLMACHE
SCHEMBL19601324 0.80 TNF (0.49) ADORA2BTNFGLABLMACHE
SCHEMBL17682219 0.77 KMT2A (0.44) ADORA2BLMNARXFP1
SCHEMBL24611641 0.75 KMT2A (0.43) ADORA2BLMNARXFP1
SCHEMBL19607719 0.75 KMT2A (0.43) ADORA2BLMNARXFP1
SCHEMBL19601319 0.74 MAPK1 (0.58) ADORA2BTNFGLABLMACHE
SCHEMBL17682259 0.74 ADORA2B (0.49) ADORA2BTNFGLABLMACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 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 (1 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A ADORA2B 116/4885TNF 45/4885GLA 1003/4885

“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.