SCHEMBL5553445

SCHEMBL5553445

CCC(Nc1nc(NC2CCCCCC2)nc(N(C#N)c2ccc(OC)c(F)c2)n1)C1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.37
BCL6 P41182 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE5A O76074 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
AGER Q15109 1/20 0.32
CCR4 P51679 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5554547 0.91 SMN1; SMN2 (0.37) MAPK1BCL6SMN1; SMN2PDE5ACTSS
SCHEMBL5553530 0.91 SMN1; SMN2 (0.33) MAPK1SMN1; SMN2CTSSCTSKCTSL
SCHEMBL5553366 0.91 SMN1; SMN2 (0.33) MAPK1SMN1; SMN2PDE5ACTSSCTSK
SCHEMBL5554463 0.89 MAPK1 (0.40) MAPK1BCL6SMN1; SMN2PDE5AALDH1A1
SCHEMBL5550421 0.89 MAPK1 (0.39) MAPK1BCL6SMN1; SMN2PDE5AALDH1A1
SCHEMBL4829617 0.83 GALR1 (0.44) MAPK1BCL6SMN1; SMN2CTSSCTSK
SCHEMBL4838952 0.83 GALR1 (0.44) MAPK1BCL6SMN1; SMN2CTSSCTSK
SCHEMBL4832646 0.83 GALR1 (0.44) MAPK1BCL6SMN1; SMN2CTSSCTSK
SCHEMBL6013841 0.83 GALR1 (0.44) MAPK1BCL6SMN1; SMN2CTSSCTSK
SCHEMBL6013788 0.83 GALR1 (0.44) MAPK1BCL6SMN1; SMN2CTSSCTSK

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-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US claimed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US claimed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 US claimed
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed
US-20060172984-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-03 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 (3 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-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 MAPK1 370/4885BCL6 2670/4885SMN1; SMN2 4238/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPK1 343/4885BCL6 2097/4885SMN1; SMN2 4172/4885
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme ENGASE, LIPG, GPI MAPK1 1068/4885BCL6 2367/4885SMN1; SMN2 4004/4885

“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.