SCHEMBL2095974

SCHEMBL2095974

CCOC(=O)c1cn(CCC#N)c2nc(N3CCC3)c(Br)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 3/20 0.41
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 6/20 0.41
HPGD P15428 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C9 P11712 2/20 0.39
ATP6V1B2 P21281 1/20 0.39
TBXA2R P21731 1/20 0.39
EDNRA P25101 1/20 0.39
TARBP2 Q15633 1/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 2/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
JAK1 P23458 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
SCHEMBL2093699 0.89 L3MBTL1 (0.44) L3MBTL1LMNAALDH1A1KDM4EHPGD
SCHEMBL2092031 0.89 ALDH1A1 (0.51) L3MBTL1LMNAALDH1A1KDM4EHPGD
SCHEMBL2094211 0.89 LMNA (0.51) L3MBTL1LMNAALDH1A1KDM4EHPGD
SCHEMBL2095456 0.83 NPC1 (0.45) L3MBTL1LMNAALDH1A1KDM4EHPGD
SCHEMBL2085531 0.79 CYP2C9 (0.45) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL2094243 0.79 L3MBTL1 (0.45) L3MBTL1LMNAALDH1A1KDM4EHPGD
SCHEMBL2092892 0.77 KMT2A (0.47) LMNAALDH1A1KDM4EHPGDTDP1
SCHEMBL2095698 0.76 LMNA (0.42) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL2091092 0.75 ALDH1A1 (0.48) LMNAALDH1A1KDM4EHPGDTDP1
SCHEMBL2094400 0.75 LMNA (0.42) LMNAALDH1A1KDM4EHPGDKMT2A

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 1277/4885LMNA 2661/4885ALDH1A1 292/4885

“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.