SCHEMBL5030703

SCHEMBL5030703

COc1ccc(N(c2nc(N)nc(N3CCOCC3)n2)C2CCCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.42
NOS1 P29475 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
HTR6 P50406 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL5549684 0.83 PKM (0.54) PKMALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6856692 0.73 ALDH1A1 (0.48) L3MBTL1ALDH1A1SMN1; SMN2NOS1CYP2D6
SCHEMBL4836469 0.73 HRH4 (0.45) KMT2AMEN1SMN1; SMN2MAPK1HTT
SCHEMBL18855572 0.69 TRPM8 (0.45) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL16872891 0.69 PKM (0.50) PKMMAPTKMT2AALDH1A1KDM4E
SCHEMBL1121144 0.68 MAPT (0.39) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL6740893 0.67 MAPT (0.86) MAPTKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL9205951 0.66 TRPM8 (0.53) KMT2AMEN1MAPK1TSHR
SCHEMBL6736048 0.65 PIK3CA (0.66) MAPTKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL4829472 0.65 MEN1 (0.73) MAPTKMT2AL3MBTL1MEN1ALDH1A1

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 PKM 1884/4885MAPT 3539/4885KMT2A 4102/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 PKM 1329/4885MAPT 3475/4885KMT2A 3506/4885

“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.