SCHEMBL684264

SCHEMBL684264

CCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCN(C(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.50
HTT P42858 4/20 0.50
RECQL P46063 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 7/20 0.49
LMNA P02545 5/20 0.49
HSD17B10 Q99714 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
GLA P06280 1/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 1/20 0.46
JAK2 O60674 1/20 0.46

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 SCHEMBL11388636 0.99 TSHR (0.49) TSHRHTTRECQLCYP1A2CYP2C19
SCHEMBL683887 0.96 HTT (0.52) TSHRHTTRECQLCYP1A2CYP2C19
SCHEMBL684262 0.87 TSHR (0.54) TSHRHTTRECQLCYP1A2CYP2C19
SCHEMBL683958 0.86 TSHR (0.54) TSHRHTTRECQLCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL11384933 0.86 SMN1; SMN2 (0.55) TSHRHTTRECQLCYP1A2CYP2C19
SCHEMBL683576 0.85 TSHR (0.58) TSHRHTTRECQLCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL11382033 0.85 TSHR (0.53) TSHRHTTRECQLCYP1A2CYP2C19
SCHEMBL683882 0.85 TSHR (0.56) TSHRHTTRECQLCYP1A2CYP2C19
SCHEMBL683959 0.84 CYP1A2 (0.49) TSHRHTTRECQLCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL11380912 0.84 TSHR (0.55) TSHRHTTRECQLCYP1A2CYP2C19

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 751/4885RECQL 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.