SCHEMBL5365552

SCHEMBL5365552

CCCc1nn(C)c2c(N3CCC(O)CC3)nc(-c3ccc(OC)c(OC)c3)nc12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.42
SMPD3 Q9NY59 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 1/20 0.40
NEK2 P51955 1/20 0.39
PDE5A O76074 8/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
MTOR P42345 1/20 0.38
HDAC2 Q92769 4/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TERT O14746 1/20 0.37
HDAC3 O15379 1/20 0.37
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL28357598 0.91 TERT (0.44) NEK2PDE5AHDAC1HDAC6MTOR
SCHEMBL28357438 0.80 TERT (0.48) ALDH1A1PDE5AHDAC1MTORTERT
SCHEMBL28361193 0.79 TERT (0.47) ALDH1A1PDE5AHDAC1MTORTERT
SCHEMBL28361183 0.79 TERT (0.47) ALDH1A1PDE5AHDAC1HDAC6MTOR
SCHEMBL28361223 0.77 TERT (0.46) ALDH1A1PDE5AHDAC1MTORTERT
SCHEMBL28357530 0.77 TERT (0.46) GAKALDH1A1HPGDHIF1APDE5A
SCHEMBL28379994 0.77 TERT (0.54) ALDH1A1HPGDPDE5AHDAC1HDAC6
SCHEMBL28379992 0.77 TERT (0.54) ALDH1A1HPGDPDE5AHDAC1HDAC6
SCHEMBL5355834 0.74 TDP2 (0.40) PDE5AHDAC1HDAC6MTORHDAC2
SCHEMBL6101530 0.70 ABCG2 (0.43) PDE5AHDAC1HDAC6MTOR

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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 US claimed
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP disclosed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG GAK 1809/4885SMPD3 656/4885ALDH1A1 2651/4885

“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.