SCHEMBL5550469

SCHEMBL5550469

CCC(Nc1nc(NCC2CCCCC2)nc(Nc2ccc(C)c(Cl)c2)n1)C1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.37
BCDIN3D Q7Z5W3 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
GALR1 P47211 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
STK17A Q9UEE5 2/20 0.33
STK17B O94768 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33

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
SCHEMBL5031283 0.91 SOS1 (0.37) SOS1GALR1RAB9AKCNH3
SCHEMBL5036189 0.91 SOS1 (0.37) SOS1GALR1KCNH3
SCHEMBL5031232 0.90 SOS1 (0.33) SOS1GALR1RAB9AKCNH3
SCHEMBL5032204 0.90 GALR1 (0.41) SOS1MEN1KMT2ATDP1GALR1
SCHEMBL5032213 0.89 GALR1 (0.43) SOS1BCDIN3DPI4KBMEN1KMT2A
SCHEMBL5035753 0.88 GALR1 (0.37) SOS1MEN1KMT2AGALR1GAA
SCHEMBL4835457 0.86 GALR1 (0.38) SOS1MEN1KMT2AGALR1EPHX2
SCHEMBL5035629 0.86 GALR1 (0.34) SOS1GALR1KCNH3
SCHEMBL5033742 0.84 GALR1 (0.41) SOS1GALR1KCNH3
SCHEMBL5033962 0.84 GALR1 (0.41) SOS1GALR1KCNH3

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 9 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
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 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 SOS1 1089/4885BCDIN3D 3948/4885PI4KB 2516/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 SOS1 762/4885BCDIN3D 4005/4885PI4KB 3260/4885

“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.