SCHEMBL13902205

SCHEMBL13902205

CC(=O)c1ccc(-n2c(=O)[nH]c3sc(OC(=O)Cc4ccccc4)c(C)c3c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
USP2 O75604 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.34
ADORA2B P29275 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7032043 0.79 MEN1 (0.45) KMT2AALDH1A1HPGDMEN1POLB
SCHEMBL5132184 0.66 MAPT (0.46) KMT2AALDH1A1HPGDMEN1POLB
SCHEMBL16637755 0.66 ADORA2B (0.35) KMT2AALDH1A1HPGDMEN1POLB
SCHEMBL2772942 0.65 ALDH1A1 (0.54) KMT2AALDH1A1HPGDMEN1SMN1; SMN2
SCHEMBL8214616 0.63 GAA (0.69) KMT2AALDH1A1HPGDMEN1POLB
SCHEMBL20690610 0.62 SMN1; SMN2 (0.57) KMT2AALDH1A1HPGDMEN1SMN1; SMN2
SCHEMBL5132419 0.62 MAPT (0.58) KMT2AALDH1A1HPGDMEN1POLB
SCHEMBL5130421 0.61 ADORA2B (0.60) KMT2AALDH1A1HPGDMEN1POLB
SCHEMBL3306358 0.61 MAPT (0.72) KMT2AALDH1A1HPGDMEN1POLB
SCHEMBL29092672 0.60 SMN1; SMN2 (0.51) KMT2AALDH1A1MEN1POLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-05 US disclosed
EP-1847541-A1 FUSED PYRIMIDINE DERIVATIVE AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF GNRHR, FSHR, NPY4R KMT2A 3073/4885ALDH1A1 4008/4885HPGD 2230/4885

“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.