SCHEMBL5029097

SCHEMBL5029097

COc1ccc(Nc2nc(N)nc(N)n2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 1/20 0.53
PIK3CA P42336 1/20 0.53
GALR2 O43603 5/20 0.52
GALR1 P47211 5/20 0.52
FLT3 P36888 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.48
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
KCNH2 Q12809 1/20 0.47
RAD52 P43351 1/20 0.47
CGAS Q8N884 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6919919 0.88 AGPAT2 (0.55) AGPAT2PIK3CAGALR2GALR1FLT3
SCHEMBL27609278 0.85 PIK3CA (0.43) AGPAT2PIK3CAGALR2GALR1FLT3
SCHEMBL27628446 0.84 P2RX3 (0.48)
SCHEMBL5029274 0.83 GALR1 (0.52) AGPAT2PIK3CAGALR2GALR1ABCG2
SCHEMBL6231983 0.83 SMN1; SMN2 (0.58) GALR2GALR1MAPTRAB9A
SCHEMBL27628471 0.82 EPHX2 (0.51) AGPAT2MAPTCGAS
SCHEMBL6610183 0.82 MEN1 (0.58) GALR2GALR1MAPTTP53
SCHEMBL27628528 0.82 AGPAT2 (0.46) AGPAT2PIK3CAGALR2MAPTCGAS
SCHEMBL4835357 0.82 APP (0.59) GALR2GALR1ABCG2ABCB1ABCC1
SCHEMBL4836537 0.82 APP (0.63) GALR2GALR1ABCG2ABCB1ABCC1

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 14 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-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
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-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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
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 (5 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 AGPAT2 2960/4885PIK3CA 2359/4885GALR2 668/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS AGPAT2 2960/4885PIK3CA 2359/4885GALR2 668/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 AGPAT2 3183/4885PIK3CA 2731/4885GALR2 712/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 AGPAT2 3183/4885PIK3CA 2731/4885GALR2 712/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS AGPAT2 2960/4885PIK3CA 2359/4885GALR2 668/4885

“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.