SCHEMBL14749235

SCHEMBL14749235

Cc1ccc(Cc2cnc(-c3nc4c(N5CCN(C)S5(=O)=O)cc(N5CCOCC5)cn4c(=O)c3O)[nH]2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DGAT1 O75907 1/20 0.31
ATM Q13315 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1221745 0.94 ALDH1A1 (0.33) PIK3CAMAPTRECQLCNR2ALDH1A1
SCHEMBL14749234 0.86 PIK3CD (0.33) BRD4PIK3CDPIK3CAPIK3CBMAPT
SCHEMBL13512867 0.86 SLC2A1 (0.34) PIK3CDPIK3CAPIK3CBMAPTRECQL
SCHEMBL12894432 0.83 CASP1 (0.32) PIK3CAMAPTRECQLALDH1A1
SCHEMBL1222136 0.82 ALDH1A1 (0.35) BRD4PIK3CAMAPTRECQLALDH1A1
SCHEMBL14749236 0.81 CNR1 (0.34) BRD4PIK3CDPIK3CAPIK3CBMAPT
SCHEMBL1222176 0.80 CYP1A2 (0.35) PIK3CAMAPTRECQLALDH1A1
SCHEMBL12881003 0.79 ALDH1A1 (0.34) PIK3CAMAPTRECQLALDH1A1
SCHEMBL1222177 0.79 CASP1 (0.35) PIK3CDPIK3CAPIK3CBRECQLCNR2
Hydrochloric Acid SCHEMBL1221826 0.79 ALDH1A1 (0.34) PIK3CAMAPTRECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 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-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 BRD4 3765/4885PIK3CD 2091/4885PIK3CA 1718/4885

“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.