SCHEMBL5744907

SCHEMBL5744907

COc1ccc(NCc2cnc(Cl)nc2Cl)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
DHFR P00374 5/20 0.40
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
DYRK3 O43781 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37

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
SCHEMBL6205278 0.88 ALDH1A1 (0.37) GAALMNAMEN1KMT2AMAPT
SCHEMBL16071787 0.80 DHFR (0.39) GAALMNAMEN1KMT2AMAPT
SCHEMBL4692835 0.79 MAPT (0.45) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL16071483 0.77 DHFR (0.50) GAALMNAMEN1KMT2AMAPT
SCHEMBL16072005 0.77 DHFR (0.40) GAALMNAMEN1KMT2AMAPT
SCHEMBL4705192 0.76 NR1I2 (0.40) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL30262072 0.73 ALDH1A1 (0.39) GAAMEN1KMT2AMAPTDHFR
SCHEMBL16071766 0.73 ALDH1A1 (0.39) GAAMEN1KMT2AMAPTDHFR
SCHEMBL6203897 0.73 TDP1 (0.50) GAALMNAMEN1KMT2ADHFR
SCHEMBL6204478 0.72 MAPT (0.47) GAAMAPTALDH1A1GFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115740-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1615928-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
WO-2004089955-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204427-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-10-14 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 (1 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-20040204427-A1 Pyrimido compounds having antiproliferative activity FGFR3, FGFR1, FGFR4 GAA 1761/4885LMNA 4596/4885MEN1 3604/4885

“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.