SCHEMBL684263

SCHEMBL684263

CCCN(CCC)CCCCn1c(C)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 7/20 0.51
MAPK1 P28482 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
NR2F2 P24468 1/20 0.51
GALR3 O60755 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
HSD17B10 Q99714 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
USP2 O75604 1/20 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 SCHEMBL11381105 0.99 RECQL (0.52) RECQLCYP1A2CYP2C19TSHRMAPK1
SCHEMBL683541 0.96 CYP1A2 (0.54) RECQLCYP1A2CYP2C19TSHRMAPK1
Hydrochloric Acid SCHEMBL11384466 0.95 CYP1A2 (0.53) RECQLCYP1A2CYP2C19TSHRMAPK1
SCHEMBL11384056 0.95 RECQL (0.56) RECQLCYP1A2CYP2C19TSHRMAPK1
Hydrochloric Acid SCHEMBL11389670 0.94 RECQL (0.55) RECQLCYP1A2CYP2C19TSHRMAPK1
SCHEMBL682753 0.91 CYP1A2 (0.58) RECQLCYP1A2CYP2C19TSHRMAPK1
SCHEMBL682746 0.91 CYP1A2 (0.51) RECQLCYP1A2CYP2C19TSHRMAPK1
SCHEMBL683540 0.91 TSHR (0.50) RECQLCYP1A2CYP2C19TSHRMAPK1
Hydrochloric Acid SCHEMBL11381800 0.90 CYP1A2 (0.56) RECQLCYP1A2CYP2C19TSHRMAPK1
Hydrochloric Acid SCHEMBL11389036 0.90 CYP1A2 (0.50) RECQLCYP1A2CYP2C19TSHRMAPK1

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

“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.