SCHEMBL684387

SCHEMBL684387

CCCCCC(=O)n1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
ADORA2B P29275 8/20 0.54
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
ACHE P22303 2/20 0.51
PDE4A P27815 2/20 0.51
ESR1 P03372 1/20 0.51
CYP1A2 P05177 1/20 0.51
NFKB1 P19838 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
ADORA2A P29274 2/20 0.50
POLB P06746 2/20 0.50
PIK3CD O00329 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CNR1 P21554 1/20 0.50
ADORA1 P30542 1/20 0.50
NTSR1 P30989 1/20 0.50

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
SCHEMBL11703954 0.99 MAPK1 (0.58) MAPK1RXFP1ADORA2BLMNASMN1; SMN2
SCHEMBL684091 0.99 MAPK1 (0.58) MAPK1RXFP1ADORA2BLMNASMN1; SMN2
SCHEMBL11702656 0.99 MAPK1 (0.58) MAPK1RXFP1ADORA2BLMNASMN1; SMN2
SCHEMBL11699822 0.99 MAPK1 (0.58) MAPK1RXFP1ADORA2BLMNASMN1; SMN2
SCHEMBL11705193 0.95 RXFP1 (0.61) MAPK1RXFP1ADORA2BLMNASMN1; SMN2
SCHEMBL11704186 0.93 MAPK1 (0.53) MAPK1RXFP1ADORA2BLMNASMN1; SMN2
SCHEMBL11704172 0.93 MAPK1 (0.53) MAPK1RXFP1ADORA2BLMNASMN1; SMN2
SCHEMBL11699867 0.92 MAPK1 (0.58) MAPK1RXFP1ADORA2BLMNASMN1; SMN2
SCHEMBL11635023 0.91 ADORA2B (0.55) MAPK1RXFP1ADORA2BLMNASMN1; SMN2
SCHEMBL11635125 0.89 ADORA2B (0.58) MAPK1RXFP1ADORA2BLMNASMN1; SMN2

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-3935196-A Useful pro-drug forms of theophylline INTERX RESEARCH CORPORATION (US) 1976-01-27 US claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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 MAPK1 470/4885RXFP1 211/4885ADORA2B 786/4885

“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.