SCHEMBL3503380

SCHEMBL3503380

Clc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.80
PDE4A P27815 1/20 0.59
PTGS2 P35354 1/20 0.58
CTSS P25774 5/20 0.56
CTSK P43235 5/20 0.56
CTSL P07711 3/20 0.52
CTSV O60911 1/20 0.52
PLAT P00750 1/20 0.52
CTSH P09668 1/20 0.52
CASP14 P31944 1/20 0.52
CASP6 P55212 1/20 0.52
CTSZ Q9UBR2 1/20 0.52

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
SCHEMBL20938665 0.88 RAB9A (0.75) RAB9APDE4APTGS2CTSSCTSK
SCHEMBL13326008 0.88 RAB9A (0.75) RAB9APDE4APTGS2CTSSCTSK
SCHEMBL14600703 0.88 RAB9A (0.75) RAB9APDE4APTGS2CTSSCTSK
SCHEMBL19053287 0.85 SMN1; SMN2 (0.69) RAB9ACTSSCTSKCTSL
SCHEMBL13326006 0.85 RAB9A (0.74) RAB9APDE4APTGS2CTSSCTSK
SCHEMBL18557113 0.82 PDE4A (0.82) RAB9APDE4APTGS2CTSSCTSK
SCHEMBL18557112 0.82 PDE4A (0.82) RAB9APDE4APTGS2CTSSCTSK
SCHEMBL18760598 0.82 PDE4A (0.82) RAB9APDE4APTGS2CTSSCTSK
SCHEMBL20402878 0.82 PDE4A (0.82) RAB9APDE4APTGS2CTSSCTSK
SCHEMBL11794474 0.82 PDE4A (0.82) RAB9APDE4APTGS2CTSSCTSK

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 20 patents. 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-7608620-B2 LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-10-27 US disclosed
US-7199238-B2 LPAAT-β inhibitors and uses thereof CELL THERAPUETICS, INC. (US) 2007-04-03 US disclosed
US-20070072856-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-03-29 US disclosed
US-7064125-B2 LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2006-06-20 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 (6 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 RAB9A 4247/4885PDE4A 644/4885PTGS2 1905/4885
US-20100189726-A1 LPAAT-BETA INHIBITORS AND USES THEREOF LPCAT3, LPCAT1, PLAAT2 RAB9A 4000/4885PDE4A 394/4885PTGS2 2457/4885
US-20020103195-A1 LPAAT-B inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 RAB9A 3602/4885PDE4A 580/4885PTGS2 2228/4885
US-20070072856-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 RAB9A 4000/4885PDE4A 394/4885PTGS2 2457/4885
US-20040162288-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 RAB9A 4051/4885PDE4A 400/4885PTGS2 2398/4885
US-20030100557-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 RAB9A 4051/4885PDE4A 400/4885PTGS2 2398/4885

“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.