SCHEMBL2172802

SCHEMBL2172802

COc1ccc(Cn2nc(N(C=O)OC(C)(C)C)cc2N)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.38
SLC2A1 P11166 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 1/20 0.36
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CACNA1H O95180 2/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
AOC3 Q16853 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
SCHEMBL2172241 0.84 LMNA (0.41) LMNASMN1; SMN2KMT2AALDH1A1CACNA1H
SCHEMBL2177475 0.78 LMNA (0.43) LMNASMN1; SMN2CYP19A1KMT2ACACNA1H
SCHEMBL2172795 0.70 CACNA1H (0.47) LMNASMN1; SMN2ALDH1A1CACNA1HTSHR
SCHEMBL1491108 0.66 LMNA (0.55) LMNASMN1; SMN2CYP19A1SLC2A1SIGMAR1
SCHEMBL185722 0.64 CCR4 (0.54) LMNASMN1; SMN2CYP19A1SLC2A1SIGMAR1
SCHEMBL9383041 0.62 KDM4E (0.40) SMN1; SMN2KMT2AALDH1A1TSHRKDM4E
SCHEMBL30486002 0.62 LMNA (0.52) LMNASMN1; SMN2SLC2A1SIGMAR1KMT2A
SCHEMBL19925941 0.60 POLB (0.50) LMNASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL20421230 0.60 CACNA1H (0.50) LMNASMN1; SMN2CYP19A1SLC2A1SIGMAR1
SCHEMBL30644304 0.59 ALDH1A1 (0.69) LMNASMN1; SMN2CYP19A1KMT2AALDH1A1

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-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 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-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 LMNA 1122/4885SMN1; SMN2 2298/4885CYP19A1 697/4885

“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.