SCHEMBL2090963

SCHEMBL2090963

CCOC(=O)c1cn(CCC#N)c2nc(N3CC(NC(=O)OC(C)(C)C)C3)c(F)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
LMNA P02545 1/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40
TARBP2 Q15633 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 1/20 0.37
STAT3 P40763 1/20 0.36
P2RY12 Q9H244 5/20 0.36
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
DPP4 P27487 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2094400 0.93 LMNA (0.42) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL2095189 0.91 LMNA (0.47) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL2085531 0.86 CYP2C9 (0.45) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL2093663 0.84 LMNA (0.50) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL2094211 0.83 LMNA (0.51) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL2095698 0.82 LMNA (0.42) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL2093718 0.80 OPRK1 (0.40) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL2092020 0.80 OPRK1 (0.40) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL2094581 0.78 LMNA (0.39) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL2092892 0.76 KMT2A (0.47) CYP2C9LMNAKDM4EALDH1A1HPGD

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 CYP2C9 45/4885LMNA 2661/4885ATP6V1B2 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.