SCHEMBL2093479

SCHEMBL2093479

O=C(O)c1cn(Cc2ccccn2)c2nc(N3C[C@@H]4C[C@H]3CN4)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
CYP2C9 P11712 1/20 0.45
ATP6V1B2 P21281 1/20 0.45
TBXA2R P21731 1/20 0.45
EDNRA P25101 1/20 0.45
TARBP2 Q15633 1/20 0.45
KDM4E B2RXH2 3/20 0.43
DPP4 P27487 6/20 0.42
EPHA2 P29317 1/20 0.39
FLT4 P35916 1/20 0.39
GSK3B P49841 1/20 0.39
RARB P10826 1/20 0.39
TBXAS1 P24557 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
TOP1 P11387 3/20 0.38
KMT2A Q03164 1/20 0.38
NTRK1 P04629 1/20 0.37
MAP4K1 Q92918 1/20 0.37
DHFR P00374 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
SCHEMBL2094219 0.89 LMNA (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2091924 0.87 LMNA (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2094624 0.87 LMNA (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2091113 0.85 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9838562 0.85 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2094302 0.84 LMNA (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2093492 0.84 LMNA (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2094103 0.83 DPP4 (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2097485 0.83 LMNA (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2095707 0.83 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
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 LMNA 2661/4885CYP2C9 45/4885ATP6V1B2 3687/4885

“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.