SCHEMBL5469155

SCHEMBL5469155

CCN1CCN(C(=O)c2ccc(Cl)c(-n3c(=O)c4ccccc4n(OC(=O)C(F)(F)F)c3=O)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 6/20 0.40
GAA P10253 3/20 0.40
RAB9A P51151 2/20 0.40
THRB P10828 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 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
Trifluoroacetic Acid SCHEMBL5469149 0.77 RAB9A (0.53) KMT2AMEN1ALDH1A1GAARAB9A
SCHEMBL5479308 0.63 KMT2A (0.51) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL14597113 0.63 LMNA (0.47) KMT2AMEN1ALDH1A1GAARAB9A
SCHEMBL5467200 0.62 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1GAARAB9A
SCHEMBL3474117 0.61 RXRA (0.53) KMT2AMEN1ALDH1A1GAARAB9A
SCHEMBL10282543 0.61 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1THRBKDM4E
SCHEMBL4293002 0.60 BLM (0.70) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL5467235 0.60 PKM (0.52) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL12822437 0.60 PARP1 (0.56) KMT2AMEN1RAB9A
SCHEMBL30428864 0.60 PARP1 (0.56) KMT2AMEN1RAB9A

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-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 KMT2A 1132/4885MEN1 1223/4885ALDH1A1 1875/4885

“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.