SCHEMBL4687405

SCHEMBL4687405

CNc1nc(SC)ncc1C(C)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.34
NTRK1 P04629 1/20 0.33
MERTK Q12866 1/20 0.33
SYK P43405 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 3/20 0.31
AHR P35869 1/20 0.31
FOS P01100 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL4693685 0.83 LMNA (0.39) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL6944883 0.77 KMT2A (0.47) MEN1KMT2AMERTKSYK
SCHEMBL24618927 0.76 MAPK8 (0.33) MEN1KMT2AMERTK
SCHEMBL6073632 0.75 KMT2A (0.38) KDM4EMEN1KMT2AALDH1A1NTRK1
SCHEMBL24177972 0.75 KMT2A (0.45) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL5416240 0.74 LMNA (0.43) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL15785397 0.74 LMNA (0.40) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL22171263 0.73 MERTK (0.31) MERTK
SCHEMBL5407989 0.73 LMNA (0.42) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL5402443 0.73 LRRK2 (0.50) LMNAKDM4EHTTMEN1KMT2A

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 9 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
US-7129351-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
US-7091345-B2 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-15 US disclosed
EP-1560829-A1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
EP-1560831-A1 NOVEL AMINO-SUBSTITUTED DIHYDROPYRIMIDO [4,5-D] PYRIMIDIN ONE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20040110773-A1 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004041823-A1 NOVEL AMINO-SUBSTITUTED DIHYDROPYRIMIDO[4,5-D]PYRIMIDINONE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS 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
US-20040087600-A1 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives HOFFMANN-LA ROCHE INC. 2004-05-06 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 (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-20040087600-A1 Amino-substituted dihydropyrimido[4,5-D]pyrimidinone derivatives SRC, ABL1, LCK LMNA 4036/4885KDM4E 969/4885HTT 3859/4885
US-20040110773-A1 Pyrimido compounds having antiproliferative activity SRC, LYN, TK1 LMNA 4843/4885KDM4E 2418/4885HTT 3187/4885

“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.