SCHEMBL5554503

SCHEMBL5554503

Nc1nc(N)nc(NN2CCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.38
HRH4 Q9H3N8 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM1A O60341 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BLM P54132 1/20 0.33
MAPK1 P28482 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
SCHEMBL8683947 0.98 NUDT1 (0.40) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
SCHEMBL23175171 0.86 NUDT1 (0.44) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
SCHEMBL2450969 0.82 L3MBTL1 (0.41) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
SCHEMBL17697839 0.77 MAPT (0.42) NUDT1SMN1; SMN2CRHBPCRHR2LMNA
SCHEMBL2784422 0.73 GAA (0.41) SMN1; SMN2KDM1ATDP1LMNAALDH1A1
SCHEMBL10639637 0.71 KDM1A (0.38) SMN1; SMN2KDM1ATDP1LMNAALDH1A1
SCHEMBL21325614 0.69 ALDH1A1 (0.51) HRH4SMN1; SMN2TDP1ALDH1A1MAPK1
SCHEMBL2783128 0.68 GAA (0.52) SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL5033361 0.67 ALDH1A1 (0.54) HRH4SMN1; SMN2CRHBPCRHR2TDP1
Hydrochloric Acid SCHEMBL31046080 0.67 ALDH1A1 (0.50) HRH4SMN1; SMN2KDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 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-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 NUDT1 4002/4885HRH4 331/4885SMN1; SMN2 4238/4885

“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.