SCHEMBL3500212

SCHEMBL3500212

COc1ccc(Nc2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.87
SMN1; SMN2 Q16637 1/20 0.87
APP P05067 4/20 0.66
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
NPC1 O15118 1/20 0.63
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
GAA P10253 2/20 0.61
EGFR P00533 1/20 0.59
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CHRNA7 P36544 1/20 0.56
KDM4E B2RXH2 1/20 0.56
NFKB1 P19838 1/20 0.56
KCNH3 Q9ULD8 1/20 0.56
RAB9A P51151 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
SCHEMBL8973510 0.93 MAPT (1.00) MAPTSMN1; SMN2APPCYP1A2CYP3A4
SCHEMBL4544853 0.92 MAPT (0.71) MAPTSMN1; SMN2APPNPC1MEN1
SCHEMBL1390681 0.90 MAPT (0.93) MAPTSMN1; SMN2APPCYP1A2CYP3A4
SCHEMBL3501886 0.89 MAPT (0.90) MAPTSMN1; SMN2APPCYP1A2CYP3A4
SCHEMBL11785244 0.88 NPC1 (0.77) MAPTSMN1; SMN2APPCYP1A2CYP3A4
SCHEMBL20814409 0.87 MAPT (0.81) MAPTSMN1; SMN2APPCYP1A2CYP3A4
SCHEMBL28736261 0.87 MAPT (0.87) MAPTSMN1; SMN2APPCYP1A2CYP3A4
SCHEMBL3502169 0.87 MAPT (0.87) MAPTSMN1; SMN2APPCYP1A2CYP3A4
SCHEMBL10143511 0.86 MAPT (0.69) MAPTSMN1; SMN2APPCYP1A2CYP3A4
SCHEMBL12732285 0.85 KCNH3 (0.68) MAPTSMN1; SMN2NPC1MEN1KMT2A

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 18 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-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 MAPT 2134/4885SMN1; SMN2 4784/4885APP 1751/4885
US-20100189726-A1 LPAAT-BETA INHIBITORS AND USES THEREOF LPCAT3, LPCAT1, PLAAT2 MAPT 2807/4885SMN1; SMN2 4780/4885APP 2069/4885
US-20020103195-A1 LPAAT-B inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 MAPT 3108/4885SMN1; SMN2 4809/4885APP 3583/4885
US-20070072856-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 MAPT 2807/4885SMN1; SMN2 4780/4885APP 2069/4885
US-20040162288-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 MAPT 2914/4885SMN1; SMN2 4791/4885APP 2444/4885
US-20030100557-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 MAPT 2914/4885SMN1; SMN2 4791/4885APP 2444/4885

“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.