SCHEMBL3499751

SCHEMBL3499751

Clc1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.85
MEN1 O00255 4/20 0.85
KMT2A Q03164 4/20 0.85
MAPK1 P28482 1/20 0.85
NFKB1 P19838 2/20 0.78
LMNA P02545 1/20 0.71
KCNH3 Q9ULD8 1/20 0.66
NPC1 O15118 3/20 0.65
RAB9A P51151 2/20 0.65
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA9 Q16790 2/20 0.64
NPY5R Q15761 1/20 0.61
NR1I2 O75469 1/20 0.61
AHR P35869 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL1923883 0.92 MAPT (1.00) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL9390360 0.92 MAPT (0.69) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL23643402 0.88 NFKB1 (0.92) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL21655135 0.88 NFKB1 (1.00) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL3500246 0.88 NFKB1 (0.69) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL113103 0.88 NFKB1 (1.00) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL11630110 0.85 KCNH3 (0.59) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL1925527 0.85 MEN1 (0.79) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL11787207 0.85 MAPT (0.78) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL11885185 0.83 LMNA (1.00) MAPTMEN1KMT2AMAPK1NFKB1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608620-B2 LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-10-27 US claimed
US-20070072856-A1 LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-03-29 US 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 2134/4885MEN1 2047/4885KMT2A 120/4885
US-20100189726-A1 LPAAT-BETA INHIBITORS AND USES THEREOF LPCAT3, LPCAT1, PLAAT2 MAPT 2807/4885MEN1 2590/4885KMT2A 326/4885
US-20020103195-A1 LPAAT-B inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 MAPT 3108/4885MEN1 2591/4885KMT2A 158/4885
US-20070072856-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 MAPT 2807/4885MEN1 2590/4885KMT2A 326/4885
US-20040162288-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 MAPT 2914/4885MEN1 2484/4885KMT2A 312/4885
US-20030100557-A1 LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 MAPT 2914/4885MEN1 2484/4885KMT2A 312/4885

“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.