SCHEMBL5035629

SCHEMBL5035629

CCC(Nc1nc(NCC2CCCCC2)nc(Nc2cc(Cl)c(OC)c(Cl)c2)n1)C1CCCN1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
SOS1 Q07889 2/20 0.32
FLT3 P36888 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31
SLC6A3 Q01959 3/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 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
SCHEMBL5031232 0.90 SOS1 (0.33) GALR1SOS1CCNB2CDK1CCNB1
SCHEMBL5029046 0.90 GALR1 (0.41) GALR1SOS1FLT3KCNH3
SCHEMBL5032213 0.89 GALR1 (0.43) GALR1SOS1
SCHEMBL5550469 0.86 SOS1 (0.37) GALR1SOS1KCNH3
SCHEMBL5031283 0.85 SOS1 (0.37) GALR1SOS1KCNH3SLC6A3SLC6A2
SCHEMBL5036189 0.85 SOS1 (0.37) GALR1SOS1KCNH3SLC6A3SLC6A2
SCHEMBL5035753 0.84 GALR1 (0.37) GALR1SOS1
SCHEMBL4835457 0.83 GALR1 (0.38) GALR1SOS1
SCHEMBL4839078 0.82 RPS6KA6 (0.38) GALR1SOS1KCNH3
SCHEMBL5029338 0.82 GALR1 (0.40) GALR1CCNB2CDK1CCNB1CCNA2

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 6 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-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 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 GALR1 961/4885DRD2 4772/4885DRD3 4693/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885DRD2 4763/4885DRD3 4742/4885

“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.