SCHEMBL5030628

SCHEMBL5030628

CC1CCC(Nc2nc(N)nc(N)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.38
NUDT1 P36639 2/20 0.38
HRH4 Q9H3N8 3/20 0.38
PDE4A P27815 2/20 0.36
CHRM3 P20309 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL19868615 0.93 SMN1; SMN2 (0.42) GRM5SMN1; SMN2ATMNUDT1HRH4
Cyromazine SCHEMBL10832935 0.89 NUDT1 (0.43) SMN1; SMN2NUDT1HRH4PDE4APDE4B
Cyromazine SCHEMBL27231 0.89 NUDT1 (0.43) SMN1; SMN2NUDT1HRH4PDE4APDE4B
SCHEMBL27628560 0.89 PDE4A (0.50) GRM5SMN1; SMN2ATMNUDT1HRH4
Cyromazine SCHEMBL11476792 0.87 NUDT1 (0.42) SMN1; SMN2NUDT1HRH4PDE4APDE4B
Cyromazine SCHEMBL11478220 0.85 NUDT1 (0.41) SMN1; SMN2NUDT1HRH4PDE4A
SCHEMBL10706738 0.85 NUDT1 (0.43) SMN1; SMN2NUDT1HRH4PDE4A
SCHEMBL11478013 0.81 NUDT1 (0.49) SMN1; SMN2NUDT1HRH4PDE4A
Cyromazine SCHEMBL21494152 0.80 BRAF (0.39) NUDT1PDE4APDE4BPDE4CPDE4D
SCHEMBL11482610 0.80 PDE4A (0.56) SMN1; SMN2NUDT1HRH4PDE4A

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
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 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 (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-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GRM5 512/4885SMN1; SMN2 4172/4885ATM 3032/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GRM5 418/4885SMN1; SMN2 4238/4885ATM 3049/4885

“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.