SCHEMBL5029049

SCHEMBL5029049

COc1ccc(Nc2nc(NC3CCC(C)CC3)nc(N(C)c3ccc(OC)c(Cl)c3)n2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
BCL6 P41182 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
EPHB4 P54760 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
ULK1 O75385 1/20 0.39
ULK2 Q8IYT8 1/20 0.39
PIP4K2A P48426 1/20 0.38
IGF1R P08069 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 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
SCHEMBL4838143 0.84 BCL6 (0.54) MAPTGAARAB9ANPC1BCL6
SCHEMBL4836809 0.82 BCL6 (0.54) MAPTGAARAB9ANPC1BCL6
SCHEMBL4829545 0.82 MAPT (0.60) MAPTGAARAB9ANPC1BCL6
SCHEMBL4832283 0.80 MAPT (0.55) MAPTGAARAB9ANPC1BCL6
SCHEMBL4836573 0.80 BCL6 (0.68) MAPTGAARAB9ANPC1BCL6
SCHEMBL5032222 0.79 BCL6 (0.57) MAPTGAARAB9ANPC1BCL6
SCHEMBL4829776 0.79 BCL6 (0.59) MAPTGAARAB9ANPC1BCL6
SCHEMBL4837927 0.77 BCL6 (0.55) MAPTGAARAB9ANPC1BCL6
SCHEMBL4829781 0.77 RAB9A (0.65) MAPTGAARAB9ANPC1BCL6
SCHEMBL5033413 0.77 BCL6 (0.59) MAPTGAARAB9ANPC1BCL6

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
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 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-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885GAA 852/4885RAB9A 4709/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885GAA 852/4885RAB9A 4709/4885

“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.