SCHEMBL12437102

SCHEMBL12437102

Cc1nc2nc(C(C)C)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.34
ADRB2 P07550 1/20 0.32
HSP90AA1 P07900 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
HTT P42858 1/20 0.31
F9 P00740 1/20 0.31
PARP1 P09874 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6711042 0.83 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1ADRB2HSP90AA1ESR2
SCHEMBL10118778 0.81 HSD17B10 (0.43) ALDH1A1ADORA3ADORA2AADORA1HSD17B10
SCHEMBL10120015 0.77 DGAT2 (0.37) SMN1; SMN2ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL10147093 0.77 DDAH1 (0.43) SMN1; SMN2HTTADORA3ADORA2AADORA1
SCHEMBL30490138 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1ADRB2HSP90AA1ESR2
SCHEMBL6300137 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1ADRB2HSP90AA1ESR2
SCHEMBL7914435 0.75 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1ADRB2HSP90AA1ESR2
SCHEMBL19485892 0.73 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1ADRB2HSP90AA1ESR2
SCHEMBL6299123 0.72 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1ADRB2HSP90AA1ESR2
SCHEMBL18237706 0.72 MAPKAPK2 (0.39) SMN1; SMN2ALDH1A1MAPTHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 SMN1; SMN2 4341/4885ALDH1A1 901/4885ADRB2 4192/4885

“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.