SCHEMBL2093699

SCHEMBL2093699

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 5/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 3/20 0.40
CYP2C9 P11712 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
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 3/20 0.38

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
SCHEMBL2095974 0.89 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL2092031 0.89 ALDH1A1 (0.51) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL2094211 0.89 LMNA (0.51) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL2095456 0.83 NPC1 (0.45) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL2092892 0.81 KMT2A (0.47) ALDH1A1KDM4EHPGDLMNATDP1
SCHEMBL11272646 0.80 SYK (0.40) ALDH1A1KDM4EHPGDLMNAMEN1
SCHEMBL11263426 0.80 SYK (0.40) ALDH1A1KDM4EHPGDLMNAMEN1
SCHEMBL2091092 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDLMNATDP1
SCHEMBL2085531 0.79 CYP2C9 (0.45) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL2093771 0.79 L3MBTL1 (0.43) L3MBTL1ALDH1A1KDM4EHPGDLMNA

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 1277/4885ALDH1A1 292/4885KDM4E 4269/4885

“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.