SCHEMBL682741

SCHEMBL682741

CCN(CC)CCCn1c(C)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
TSHR P16473 4/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 4/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
NR2F2 P24468 1/20 0.47
GALR3 O60755 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 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 SCHEMBL11384003 0.99 CYP1A2 (0.51) CYP1A2CYP2C19RECQLTSHRTP53
SCHEMBL682746 0.96 CYP1A2 (0.51) CYP1A2CYP2C19RECQLTSHRTP53
Hydrochloric Acid SCHEMBL11389036 0.95 CYP1A2 (0.50) CYP1A2CYP2C19RECQLTSHRTP53
SCHEMBL683577 0.92 TSHR (0.51) CYP1A2CYP2C19RECQLTSHRTP53
SCHEMBL682753 0.91 CYP1A2 (0.58) CYP1A2CYP2C19RECQLTSHRTP53
SCHEMBL683541 0.91 CYP1A2 (0.54) CYP1A2CYP2C19RECQLTSHRTP53
Hydrochloric Acid SCHEMBL11398174 0.90 TSHR (0.50) CYP1A2CYP2C19RECQLTSHRTP53
Hydrochloric Acid SCHEMBL11381800 0.90 CYP1A2 (0.56) CYP1A2CYP2C19RECQLTSHRTP53
Hydrochloric Acid SCHEMBL11384466 0.90 CYP1A2 (0.53) CYP1A2CYP2C19RECQLTSHRTP53
SCHEMBL11384056 0.87 RECQL (0.56) CYP1A2CYP2C19RECQLTSHRTP53

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 CYP1A2 4049/4885CYP2C19 4575/4885RECQL 3729/4885

“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.