SCHEMBL3500281

SCHEMBL3500281

OCCNc1nc(Cl)nc(Nc2ccccc2)n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.84
MCL1 Q07820 1/20 0.84
KCNH3 Q9ULD8 6/20 0.69
MAPT P10636 2/20 0.69
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
MAPK1 P28482 1/20 0.69
TDP1 Q9NUW8 1/20 0.68
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA5A P35218 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
CA5B Q9Y2D0 1/20 0.65
ABCG2 Q9UNQ0 1/20 0.65
NFKB1 P19838 1/20 0.64
GBA1 P04062 1/20 0.63
LMNA P02545 1/20 0.59
NR1I2 O75469 1/20 0.56

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
SCHEMBL3294674 0.92 RECQL (1.00) RECQLMCL1KCNH3TDP1GBA1
SCHEMBL3203902 0.91 RECQL (0.69) RECQLMCL1KCNH3MAPTKMT2A
SCHEMBL17577161 0.90 MEN1 (0.79) RECQLMCL1KCNH3MAPTKMT2A
SCHEMBL23321501 0.85 MAPT (0.70) RECQLMCL1KCNH3MAPTKMT2A
SCHEMBL6235017 0.84 NR1I2 (0.78) RECQLMCL1KCNH3MAPTKMT2A
SCHEMBL27393423 0.84 RECQL (0.84) RECQLMCL1KCNH3MAPTKMT2A
SCHEMBL17563700 0.84 MEN1 (0.69) RECQLMCL1KCNH3MAPTKMT2A
SCHEMBL15102355 0.83 RECQL (0.82) RECQLMCL1KCNH3TDP1GBA1
SCHEMBL17563710 0.83 MEN1 (0.67) RECQLMCL1KCNH3MAPTKMT2A
SCHEMBL1923883 0.83 MAPT (1.00) RECQLMCL1KCNH3MAPTKMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189726-A1 LPAAT-BETA INHIBITORS AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2010-07-29 US claimed
US-20070072856-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-03-29 US claimed
US-7064125-B2 LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2006-06-20 US claimed
US-20060035896-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2006-02-16 US claimed
US-20040162288-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. 2004-08-19 US claimed
WO-2002036578-A9 TRIAZINE DERIVATIVES AS LPAAT-B INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2004-04-22 WO claimed
US-20030100557-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. 2003-05-29 US claimed
US-20020103195-A1 LPAAT-B inhibitors and uses thereof CELL THERAPEUTICS,INC. 2002-08-01 US claimed
WO-2002036578-A2 TRIAZINE DERIVATIVES AS LPAAT-B INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2002-05-10 WO claimed
US-20100189726-A1 LPAAT-BETA INHIBITORS AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2010-07-29 US disclosed
US-7683061-B2 Triazine dimers for the treatment of autoimmune diseases PROMETIC BIOSCIENCES INC. (CA) 2010-03-23 US disclosed
US-7683061-B2 Triazine dimers for the treatment of autoimmune diseases PROMETIC BIOSCIENCES INC. (CA) 2010-03-23 US disclosed
US-7608620-B2 LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-10-27 US disclosed
US-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases PROMETIC PHARMA SMT LIMITED (GB) 2007-06-28 US disclosed
US-20060035896-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2006-02-16 US disclosed
US-20040162288-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. 2004-08-19 US disclosed
WO-2002036578-A9 TRIAZINE DERIVATIVES AS LPAAT-B INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2004-04-22 WO disclosed
US-20030100557-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. 2003-05-29 US disclosed
US-20020103195-A1 LPAAT-B inhibitors and uses thereof CELL THERAPEUTICS,INC. 2002-08-01 US disclosed
WO-2002036578-A2 TRIAZINE DERIVATIVES AS LPAAT-B INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2002-05-10 WO 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 (7 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-20060035896-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 RECQL 4128/4885MCL1 901/4885KCNH3 3747/4885
US-20100189726-A1 LPAAT-BETA INHIBITORS AND USES THEREOF LPCAT3, LPCAT1, PLAAT2 RECQL 4114/4885MCL1 1029/4885KCNH3 3421/4885
US-20020103195-A1 LPAAT-B inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 RECQL 3609/4885MCL1 1043/4885KCNH3 3565/4885
US-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases SSB, TLR5, ICOS RECQL 4175/4885MCL1 706/4885KCNH3 2097/4885
US-20070072856-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 RECQL 4114/4885MCL1 1029/4885KCNH3 3421/4885
US-20040162288-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 RECQL 3851/4885MCL1 1185/4885KCNH3 3428/4885
US-20030100557-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 RECQL 3851/4885MCL1 1185/4885KCNH3 3428/4885

“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.