SCHEMBL684250

SCHEMBL684250

Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
CYP2D6 P10635 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
TSHR P16473 8/20 0.48
MAPK1 P28482 5/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 4/20 0.48
NR2F2 P24468 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
GALR3 O60755 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45

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
Hydrochloric Acid SCHEMBL11384920 0.99 SMN1; SMN2 (0.56) SMN1; SMN2CYP2D6CYP1A2CYP2C19RECQL
SCHEMBL682738 0.96 SMN1; SMN2 (0.55) SMN1; SMN2CYP2D6CYP1A2CYP2C19RECQL
Hydrochloric Acid SCHEMBL11387347 0.94 SMN1; SMN2 (0.57) SMN1; SMN2CYP2D6CYP1A2CYP2C19RECQL
SCHEMBL684244 0.90 CYP2D6 (0.55) SMN1; SMN2CYP2D6CYP1A2CYP2C19RECQL
Hydrochloric Acid SCHEMBL11391007 0.89 CYP2D6 (0.53) SMN1; SMN2CYP2D6CYP1A2CYP2C19RECQL
SCHEMBL682746 0.86 CYP1A2 (0.51) SMN1; SMN2CYP1A2CYP2C19RECQLTSHR
SCHEMBL684263 0.85 RECQL (0.53) SMN1; SMN2CYP1A2CYP2C19RECQLTSHR
Hydrochloric Acid SCHEMBL11389036 0.85 CYP1A2 (0.50) SMN1; SMN2CYP1A2CYP2C19RECQLTSHR
SCHEMBL11384056 0.85 RECQL (0.56) SMN1; SMN2CYP1A2CYP2C19RECQLTSHR
Hydrochloric Acid SCHEMBL11381105 0.84 RECQL (0.52) SMN1; SMN2CYP1A2CYP2C19RECQLTSHR

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-4299832-A Substituted theophylline compounds FISONS LIMITED (GB) 1981-11-10 US claimed
EP-0011399-A1 N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1980-05-28 EP claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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 SMN1; SMN2 907/4885CYP2D6 4428/4885CYP1A2 4049/4885

“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.