SCHEMBL5030690

SCHEMBL5030690

Nc1nc(N)nc(Nc2ccccc2C(F)(F)F)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
NTSR1 P30989 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
AURKA O14965 1/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL395435 0.77 ALDH1A1 (0.64) KMT2ANPSR1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL7473390 0.77 AURKA (0.59) KMT2ANPSR1SMN1; SMN2LMNATP53
SCHEMBL5030706 0.76 GBA1 (0.51) TSHRKMT2ANPSR1SMN1; SMN2MAPK1
SCHEMBL1921414 0.75 ALDH1A1 (0.61) KMT2ANPSR1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL11000366 0.74 PTK2 (0.49) KMT2ANPSR1SMN1; SMN2LMNATP53
SCHEMBL9738114 0.73 TAS2R14 (0.59) TSHRKMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL27628518 0.73 NPC1 (0.71) NPSR1SMN1; SMN2LMNATP53HTT
SCHEMBL14869761 0.73 TSHR (0.67) TSHRKMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL3296650 0.73 BRAF (0.50) TSHRKMT2ANPSR1SMN1; SMN2MAPK1
SCHEMBL16388487 0.72 NPSR1 (0.45) TSHRNPSR1POLBAURKAKDM4E

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 5 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-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 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 (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-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS TSHR 2758/4885KMT2A 4102/4885NPSR1 1619/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS TSHR 2758/4885KMT2A 4102/4885NPSR1 1619/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 TSHR 1630/4885KMT2A 3506/4885NPSR1 840/4885

“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.