SCHEMBL684090

SCHEMBL684090

Cn1c(=O)c2c(ncn2C(=O)c2ccccc2)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.54
RXFP1 Q9HBX9 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.53
PIK3CD O00329 1/20 0.53
POLB P06746 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CNR1 P21554 1/20 0.53
ACHE P22303 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
NTSR1 P30989 1/20 0.53
MC3R P41968 1/20 0.53
NOTUM Q6P988 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
GDA Q9Y2T3 1/20 0.53
NR2E1 Q9Y466 1/20 0.53
TSHR P16473 1/20 0.51
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.49

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
SCHEMBL11702624 0.93 ADORA2B (0.57) ADORA2BRXFP1SMN1; SMN2ALDH1A1PIK3CD
SCHEMBL22521717 0.86 ADORA2B (0.43) ADORA2BRXFP1SMN1; SMN2ALDH1A1PIK3CD
SCHEMBL684044 0.83 ADORA2B (0.49) ADORA2BRXFP1SMN1; SMN2ALDH1A1PIK3CD
SCHEMBL684042 0.82 ADORA2B (0.51) ADORA2BRXFP1SMN1; SMN2ALDH1A1PIK3CD
SCHEMBL7020240 0.82 ADORA2B (0.62) ADORA2BRXFP1SMN1; SMN2ALDH1A1PIK3CD
SCHEMBL684036 0.81 LMNA (0.49) ADORA2BRXFP1SMN1; SMN2ALDH1A1PIK3CD
Caffeine SCHEMBL644872 0.81 ADORA2B (0.69) ADORA2BRXFP1SMN1; SMN2ALDH1A1PIK3CD
SCHEMBL11702678 0.81 ADORA2B (0.64) ADORA2BRXFP1SMN1; SMN2PIK3CDPOLB
Caffeine SCHEMBL5088031 0.80 ADORA2B (0.68) ADORA2BRXFP1SMN1; SMN2ALDH1A1PIK3CD
SCHEMBL5471122 0.79 ADORA2B (0.62) ADORA2BRXFP1SMN1; SMN2PIK3CDPOLB

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-4085214-A ANTIASTHMA INTERX RESEARCH CORPORATION (US) 1978-04-18 US disclosed
US-4002756-A Useful pro-drug forms of theophylline INTERX RESEARCH CORPORATION (US) 1977-01-11 US disclosed
US-4000132-A REACTION WITH CARBOXYLIC ACID, PHOSGENE, OR THIONYL CHLORIDE INTERX RESEARCH CORPORATION (US) 1976-12-28 US disclosed
US-3935196-A Useful pro-drug forms of theophylline INTERX RESEARCH CORPORATION (US) 1976-01-27 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 (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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ADORA2B 786/4885RXFP1 211/4885SMN1; SMN2 907/4885

“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.