SCHEMBL4832728

SCHEMBL4832728

CCN1CCCC1CNc1nc(NCc2ccc(C)cc2)nc(Nc2ccc(OC)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
GALR1 P47211 4/20 0.44
GALR2 O43603 3/20 0.42
ALK Q9UM73 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
DRD4 P21917 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL4839077 0.94 RECQL (0.47) DRD2GALR1GALR2RECQLSMN1; SMN2
SCHEMBL4840687 0.93 GALR1 (0.52) DRD2GALR1GALR2RECQLSMN1; SMN2
SCHEMBL5033980 0.92 DRD2 (0.45) DRD2GALR1GALR2RECQLSMN1; SMN2
SCHEMBL4836079 0.92 GALR1 (0.45) DRD2GALR1GALR2RECQLSMN1; SMN2
SCHEMBL4832495 0.92 DRD2 (0.50) DRD2GALR1GALR2ADRA2BADRA2C
SCHEMBL4829744 0.92 DRD2 (0.50) DRD2GALR1GALR2ADRA2BADRA2C
SCHEMBL4836437 0.89 GALR1 (0.48) DRD2GALR1GALR2ADRA2BADRA2C
SCHEMBL4840164 0.89 DRD2 (0.42) DRD2GALR1GALR2ALKSMN1; SMN2
SCHEMBL5031357 0.89 GALR1 (0.54) DRD2GALR1GALR2
SCHEMBL5029190 0.88 GALR1 (0.47) DRD2GALR1GALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US claimed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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 (2 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-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS DRD2 4772/4885GALR1 961/4885GALR2 668/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 DRD2 4763/4885GALR1 1159/4885GALR2 712/4885

“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.