SCHEMBL4706529

SCHEMBL4706529

COc1ccc(Cl)c(NC(C)c2cnc(Cl)nc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
SCN1A P35498 1/20 0.39
SCN1B Q07699 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
SRC P12931 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 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
SCHEMBL4705192 0.85 NR1I2 (0.40) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL4689678 0.81 MEN1 (0.52) TDP1GAAMEN1KMT2AL3MBTL1
SCHEMBL18195967 0.76 MEN1 (0.49) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL6203897 0.72 TDP1 (0.50) SRCTDP1ABL1BCRGAA
SCHEMBL4705013 0.71 MAPT (0.42) TDP1GAAMEN1KMT2AL3MBTL1
SCHEMBL4705511 0.68 GAA (0.49) TDP1GAAMEN1KMT2AL3MBTL1
SCHEMBL4705214 0.68 MAPT (0.41) TDP1GAAMEN1KMT2AL3MBTL1
SCHEMBL29019896 0.67 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KRASP2RX3
SCHEMBL9762861 0.66 TDP1 (0.48) TDP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2521168 0.66 PFKFB3 (0.48) HTR2AP2RX3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560832-B1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY HOFFMANN LA ROCHE (CH) 2008-01-23 EP claimed
US-7112676-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-09-26 US claimed
EP-1560832-A1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP claimed
US-20050075272-A1 Pyrimido compounds having antiproliferative activity DERMATAKIS APOSTOLOS (US) 2005-04-07 US claimed
WO-2004041822-A1 PYRIMIDO[4,5-D]PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO claimed
EP-1560832-B1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
EP-1560832-B1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7112676-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-09-26 US 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
WO-2004041822-A1 PYRIMIDO[4,5-D]PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY 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 (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-20050075272-A1 Pyrimido compounds having antiproliferative activity LCK, FGFR1, FYN NR1I2 2578/4885SCN1A 4621/4885SCN1B 3973/4885

“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.