SCHEMBL682738

SCHEMBL682738

Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
CYP2D6 P10635 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
TSHR P16473 7/20 0.48
USP2 O75604 1/20 0.47
MAPK1 P28482 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 3/20 0.46
NR2F2 P24468 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
GALR3 O60755 1/20 0.44
RAB9A P51151 1/20 0.44

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 SCHEMBL11387347 0.99 SMN1; SMN2 (0.57) SMN1; SMN2CYP2D6CYP1A2CYP2C19RECQL
SCHEMBL684250 0.96 SMN1; SMN2 (0.54) SMN1; SMN2CYP2D6CYP1A2CYP2C19RECQL
Hydrochloric Acid SCHEMBL11384920 0.94 SMN1; SMN2 (0.56) SMN1; SMN2CYP2D6CYP1A2CYP2C19RECQL
SCHEMBL684244 0.91 CYP2D6 (0.55) SMN1; SMN2CYP2D6CYP1A2CYP2C19RECQL
Hydrochloric Acid SCHEMBL11391007 0.90 CYP2D6 (0.53) SMN1; SMN2CYP2D6CYP1A2CYP2C19RECQL
SCHEMBL682741 0.86 CYP1A2 (0.52) SMN1; SMN2CYP1A2CYP2C19RECQLTSHR
SCHEMBL683959 0.86 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP2C19RECQLTSHR
Hydrochloric Acid SCHEMBL11384003 0.85 CYP1A2 (0.51) SMN1; SMN2CYP1A2CYP2C19RECQLTSHR
SCHEMBL683541 0.85 CYP1A2 (0.54) SMN1; SMN2CYP1A2CYP2C19RECQLTSHR
Hydrochloric Acid SCHEMBL11392089 0.85 CYP1A2 (0.48) 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 2 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
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.