SCHEMBL5032177

SCHEMBL5032177

COc1ccc(N(CC2CCCCC2)c2nc(N)nc(NCC3CCCO3)n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 3/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNH3 Q9ULD8 2/20 0.38
LMNA P02545 3/20 0.38
GALR1 P47211 1/20 0.37
MAPT P10636 2/20 0.37
JAK2 O60674 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL6428170 0.84 GALR1 (0.37) ALDH1A1MAPK1SMN1; SMN2L3MBTL1GALR1
SCHEMBL6232918 0.84 GALR1 (0.37) ALDH1A1SMN1; SMN2L3MBTL1GALR1PI4KB
SCHEMBL6819109 0.83 LMNA (0.45) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL6864393 0.82 DRD2 (0.41) TSHRLMNAGALR1MAPTCYP2C19
SCHEMBL5428789 0.81 GALR1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1GALR1PI4KB
SCHEMBL6233028 0.80 CYP19A1 (0.41) SMN1; SMN2GALR1MEN1KMT2A
SCHEMBL6016980 0.79 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1LMNAGALR1MEN1
SCHEMBL6607362 0.79 GALR1 (0.39) TSHRLMNAGALR1MAPTCYP2C19
SCHEMBL5553539 0.79 DRD2 (0.39) TSHRLMNAMAPTCYP2C19BLM
SCHEMBL6235647 0.78 GALR1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1KCNH3LMNA

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 6 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-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS KDM4E 3314/4885HPGD 788/4885HSD17B10 1873/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 KDM4E 3030/4885HPGD 374/4885HSD17B10 2099/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS KDM4E 3314/4885HPGD 788/4885HSD17B10 1873/4885

“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.