SCHEMBL13044680

SCHEMBL13044680

CC(C)Cn1cnc2cncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.61
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 2/20 0.46
LTA4H P09960 1/20 0.43
ADORA2A P29274 3/20 0.39
ADORA1 P30542 2/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
SLC29A1 Q99808 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
LMNA P02545 3/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
NUDT1 P36639 1/20 0.35

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
SCHEMBL28153339 0.87 FDPS (0.62) FDPSHDAC1HDAC6POLBLTA4H
SCHEMBL28759589 0.87 FDPS (0.58) FDPSHDAC1HDAC6POLBLTA4H
Hydrochloric Acid SCHEMBL28485022 0.85 FDPS (0.61) FDPSHDAC1HDAC6POLBLTA4H
SCHEMBL10130693 0.83 FDPS (0.55) FDPSHDAC1HDAC6POLBLTA4H
SCHEMBL28586359 0.81 FDPS (0.52) FDPSHDAC1HDAC6LTA4HLMNA
SCHEMBL5062453 0.80 FDPS (0.54) FDPSHDAC1HDAC6LTA4HADORA2A
SCHEMBL28817988 0.80 FDPS (0.54) FDPSHDAC1HDAC6LTA4HLMNA
SCHEMBL29941724 0.80 FDPS (0.54) FDPSHDAC1HDAC6LTA4HADORA2A
SCHEMBL7142262 0.79 FDPS (0.61) FDPSHDAC1HDAC6POLBLTA4H
Hydrochloric Acid SCHEMBL21174543 0.79 FDPS (0.53) FDPSHDAC1HDAC6LTA4HADORA2A

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-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B FDPS 950/4885HDAC1 1051/4885HDAC6 1347/4885

“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.