SCHEMBL683577

SCHEMBL683577

CCN(CC)CCn1c(C)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 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 SCHEMBL11398174 0.99 TSHR (0.50) TSHRTP53CYP1A2CYP2C19RECQL
SCHEMBL682741 0.92 CYP1A2 (0.52) TSHRTP53CYP1A2CYP2C19RECQL
SCHEMBL682746 0.91 CYP1A2 (0.51) TSHRTP53CYP1A2CYP2C19RECQL
Hydrochloric Acid SCHEMBL11384003 0.91 CYP1A2 (0.51) TSHRTP53CYP1A2CYP2C19RECQL
SCHEMBL683540 0.90 TSHR (0.50) TSHRCYP1A2CYP2C19RECQLRXFP1
Hydrochloric Acid SCHEMBL11389036 0.89 CYP1A2 (0.50) TSHRTP53CYP1A2CYP2C19RECQL
Hydrochloric Acid SCHEMBL11381065 0.89 TSHR (0.49) TSHRCYP1A2CYP2C19RECQLRXFP1
Hydrochloric Acid SCHEMBL11394561 0.87 CYP1A2 (0.53) TSHRTP53CYP1A2CYP2C19RECQL
SCHEMBL684244 0.85 CYP2D6 (0.55) TSHRCYP1A2CYP2C19RECQLRXFP1
SCHEMBL684229 0.84 TSHR (0.52) TSHRTP53CYP1A2CYP2C19RECQL

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-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
US-4299832-A Substituted theophylline compounds FISONS LIMITED (GB) 1981-11-10 US disclosed
EP-0011399-A1 N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1980-05-28 EP 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 TSHR 1873/4885TP53 4370/4885CYP1A2 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.