SCHEMBL2094243

SCHEMBL2094243

CCOC(=O)c1cn(C(C)(C)C)c2nc(N3CCCC3)c(Br)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.40
PDE4B Q07343 1/20 0.40
LMNA P02545 6/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRK1 P41145 2/20 0.38
TSHR P16473 2/20 0.37
CASP1 P29466 1/20 0.37
TP53 P04637 2/20 0.37
HSD17B10 Q99714 2/20 0.36
CSF1R P07333 1/20 0.36
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL2093691 0.88 LMNA (0.48) L3MBTL1MEN1KMT2AALDH1A1PDE4B
SCHEMBL2093771 0.88 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AALDH1A1PDE4B
SCHEMBL2095463 0.81 NPC1 (0.46) L3MBTL1MEN1KMT2AALDH1A1PDE4B
SCHEMBL9684577 0.80 LMNA (0.59) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL2095974 0.79 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL2963827 0.77 LMNA (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL2095446 0.76 KMT2A (0.44) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL10390918 0.74 BAZ2B (0.42) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL501306 0.74 KMT2A (0.46) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL9685446 0.73 JAK2 (0.43) KMT2AALDH1A1LMNAKDM4EHPGD

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-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 L3MBTL1 1277/4885MEN1 1184/4885KMT2A 4682/4885

“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.