SCHEMBL683535

SCHEMBL683535

CCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.56
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
LMNA P02545 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GLA P06280 1/20 0.56
HTT P42858 4/20 0.54
HSD17B10 Q99714 4/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 2/20 0.53
RECQL P46063 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
TP53 P04637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALOX15 P16050 1/20 0.50
JAK2 O60674 1/20 0.49
CYP2D6 P10635 2/20 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 SCHEMBL11380152 0.99 TSHR (0.55) TSHRALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL684262 0.96 TSHR (0.54) TSHRALDH1A1SMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL11384933 0.95 SMN1; SMN2 (0.55) TSHRALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL684242 0.91 CYP2D6 (0.52) TSHRALDH1A1SMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL11379641 0.89 CYP2D6 (0.51) TSHRALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL682754 0.87 HTT (0.58) TSHRALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL683883 0.87 HTT (0.55) TSHRALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL683887 0.87 HTT (0.52) TSHRALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL683958 0.84 TSHR (0.54) TSHRALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL684250 0.84 SMN1; SMN2 (0.54) TSHRALDH1A1SMN1; SMN2LMNAMEN1

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 TSHR 1873/4885ALDH1A1 1565/4885SMN1; SMN2 907/4885

“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.