SCHEMBL4693685

SCHEMBL4693685

CNc1nc(SC)ncc1C(C)Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MERTK Q12866 1/20 0.33
ALDH1A1 P00352 2/20 0.32
AHR P35869 1/20 0.31
MAPT P10636 1/20 0.31
NTRK1 P04629 1/20 0.31
JAK2 O60674 1/20 0.30
LRRK2 Q5S007 1/20 0.30
SYK P43405 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL4687405 0.83 LMNA (0.39) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL24177973 0.77 KMT2A (0.42) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL5402443 0.77 LRRK2 (0.50) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL5416240 0.74 LMNA (0.43) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL15785397 0.74 LMNA (0.40) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL27470316 0.73 MERTK (0.35) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL5407989 0.73 LMNA (0.42) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL12876461 0.73 KDM4E (0.42) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL28300418 0.73 KDM4E (0.42) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL27495000 0.73 LMNA (0.42) 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 3 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-20040110773-A1 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. 2004-06-10 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-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.