SCHEMBL683896

SCHEMBL683896

CCCCCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.56
HTT P42858 5/20 0.54
LMNA P02545 5/20 0.53
HSD17B10 Q99714 4/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 3/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
RECQL P46063 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALOX15 P16050 2/20 0.51
TP53 P04637 3/20 0.50
JAK2 O60674 1/20 0.49
NR2F2 P24468 1/20 0.49

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 SCHEMBL11377786 0.99 TSHR (0.55) TSHRHTTLMNAHSD17B10GAA
SCHEMBL684229 0.86 TSHR (0.52) TSHRHTTLMNAHSD17B10GAA
Hydrochloric Acid SCHEMBL11380619 0.85 TSHR (0.51) TSHRHTTLMNAHSD17B10GAA
SCHEMBL683958 0.81 TSHR (0.54) TSHRHTTLMNAHSD17B10GAA
Hydrochloric Acid SCHEMBL11382033 0.80 TSHR (0.53) TSHRHTTLMNAHSD17B10GAA
SCHEMBL683577 0.79 TSHR (0.51) TSHRHTTLMNAL3MBTL1NPSR1
Hydrochloric Acid SCHEMBL11398174 0.78 TSHR (0.50) TSHRHTTLMNAL3MBTL1NPSR1
SCHEMBL30617407 0.78 CYP1A2 (0.68) TSHRHTTLMNAL3MBTL1NPSR1
SCHEMBL684310 0.78 RXFP1 (0.66) TSHRHTTLMNAHSD17B10GAA
SCHEMBL683576 0.78 TSHR (0.58) TSHRHTTLMNAHSD17B10GAA

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 4 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-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 TSHR 1873/4885HTT 751/4885LMNA 2155/4885

“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.