SCHEMBL17682185

SCHEMBL17682185

Cn1c(=O)c2ncn(C(F)F)c2n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
POLB P06746 3/20 0.40
MAPT P10636 4/20 0.39
ADORA2A P29274 4/20 0.38
ADORA2B P29275 2/20 0.38
PIK3CD O00329 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
ADORA1 P30542 1/20 0.38
NTSR1 P30989 1/20 0.38
MC3R P41968 1/20 0.38
NOTUM Q6P988 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
GDA Q9Y2T3 1/20 0.38
NR2E1 Q9Y466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4A P27815 2/20 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
SCHEMBL19601295 0.89 LMNA (0.49) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL10600285 0.77 LMNA (0.45) LMNAALDH1A1HTTPOLBMAPT
Isocaffiene SCHEMBL515995 0.77 LMNA (0.57) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL17682319 0.76 TRPA1 (0.36) LMNAALDH1A1HTTPOLBADORA2A
SCHEMBL1962417 0.76 LMNA (0.69) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL11190463 0.75 LMNA (0.46) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL17682322 0.74 CYP3A4 (0.41) LMNAALDH1A1POLBMAPTADORA2A
SCHEMBL8136340 0.74 LMNA (0.54) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL3272841 0.74 LMNA (0.54) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL28048679 0.74 LMNA (0.54) LMNAALDH1A1HTTPOLBMAPT

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-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 WO disclosed
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 WO 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 LMNA 2616/4885ALDH1A1 265/4885HTT 2766/4885

“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.