SCHEMBL535866

SCHEMBL535866

Fc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.82
APP P05067 3/20 0.65
MAPT P10636 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.59
NFKB1 P19838 2/20 0.59
KCNH3 Q9ULD8 5/20 0.58
POLB P06746 1/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
LMNA P02545 1/20 0.55
NPC1 O15118 1/20 0.53
CHRNA7 P36544 1/20 0.52
CA14 Q9ULX7 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51

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
SCHEMBL1658574 0.96 TXN (0.89) TXNAPPMAPTMEN1KMT2A
SCHEMBL21645541 0.96 TXN (0.89) TXNAPPMAPTMEN1KMT2A
SCHEMBL1925527 0.93 MEN1 (0.79) TXNAPPMAPTMEN1KMT2A
SCHEMBL28736406 0.91 TXN (0.70) TXNAPPMAPTMEN1KMT2A
SCHEMBL1924287 0.91 APP (0.70) TXNAPPMAPTMEN1KMT2A
SCHEMBL20511159 0.90 TXN (1.00) TXNAPPMAPTMEN1KMT2A
SCHEMBL11837292 0.84 NFKB1 (0.78) TXNAPPMAPTMEN1KMT2A
SCHEMBL15720066 0.84 NR1I2 (0.78) TXNAPPMAPTKMT2AKCNH3
SCHEMBL21645364 0.83 GAA (0.68) TXNAPPMAPTMEN1KMT2A
SCHEMBL13950835 0.83 TXN (0.64) TXNAPPMAPTSMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399663-B2 Salt of 1,3,5-triazine-2,4,6-triamine derivative ASTELLAS PHARMA INC. (JP) 2013-03-19 US disclosed
US-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2012-08-09 US disclosed
US-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2012-08-09 US disclosed
US-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2012-08-09 US disclosed
EP-2414351-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
EP-2413940-A1 COMPOSITIONS COMPRISING 2, 4, 6-TRIAMINO-1, 3, 5-TRIAZINE DERIVATIVES FOR TREATMENT OF SCHIZOPHRENIA Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
WO-2011039735-A2 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2011-04-07 WO disclosed
US-20100256151-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
WO-2010114163-A1 COMPOSITIONS COMPRISING 2, 4, 6-TRIAMINO-1, 3, 5-TRIAZINE DERIVATIVES FOR TREATMENT OF SCHIZOPHRENIA ASTELLAS PHARMA INC. (JP) 2010-10-07 WO disclosed
WO-2010114162-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 WO disclosed
US-20100256152-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR TREATMENT OF SCHIZOPHRENIA ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-3931165-A INSECTICIDES, HERBICIDES BARER SOL J 1976-01-06 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 (3 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-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF DDX3X, DDX21, DDX39B TXN 2465/4885APP 3458/4885MAPT 4074/4885
US-20100256152-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR TREATMENT OF SCHIZOPHRENIA KCNAB1, KCNN1, SCN1A TXN 3164/4885APP 1715/4885MAPT 723/4885
US-20100256151-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE FH, FAH, GOT1 TXN 1640/4885APP 3174/4885MAPT 391/4885

“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.