SCHEMBL4689683

SCHEMBL4689683

CC(Cl)c1cnc(Cl)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CSNK1A1 P48729 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL1428249 0.88 KDM4E (0.34) KDM4ESMN1; SMN2ALDH1A1CSNK1A1CLK4
SCHEMBL4689680 0.80 KDM4E (0.32) KDM4ESMN1; SMN2ALDH1A1CSNK1A1CLK4
SCHEMBL14290380 0.80 KDM4E (0.32) KDM4ESMN1; SMN2ALDH1A1CSNK1A1CLK4
SCHEMBL30955714 0.80 KDM4E (0.32) KDM4ESMN1; SMN2ALDH1A1CSNK1A1CLK4
SCHEMBL4689872 0.80 KDM4E (0.32) KDM4ESMN1; SMN2ALDH1A1CSNK1A1CLK4
SCHEMBL8683664 0.78 P2RX3 (0.37) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19749068 0.77 KDM4E (0.32) KDM4ECSNK1A1CLK4TYRO3DYRK1B
SCHEMBL4706546 0.77 APLNR (0.31) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL24177973 0.75 KMT2A (0.42) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL30891186 0.75 ABL1 (0.36) KDM4ESMN1; SMN2ALDH1A1TYRO3DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560829-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
EP-1560832-B1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129351-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
US-7112676-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-09-26 US disclosed
EP-1560829-A1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
EP-1560832-A1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20050075272-A1 Pyrimido compounds having antiproliferative activity DERMATAKIS APOSTOLOS (US) 2005-04-07 US disclosed
US-20040110773-A1 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004041822-A1 PYRIMIDO[4,5-D]PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
WO-2004041821-A1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 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 (2 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-20050075272-A1 Pyrimido compounds having antiproliferative activity LCK, FGFR1, FYN KDM4E 1120/4885SMN1; SMN2 1764/4885ALDH1A1 1457/4885
US-20040110773-A1 Pyrimido compounds having antiproliferative activity SRC, LYN, TK1 KDM4E 2418/4885SMN1; SMN2 1301/4885ALDH1A1 2653/4885

“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.