SCHEMBL2094418

SCHEMBL2094418

CCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(N3CCC3)cc(C(F)(F)F)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 8/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.39
CMA1 P23946 1/20 0.38
PDE4B Q07343 1/20 0.38
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2093542 0.98 GNRHR (0.44) GNRHRMEN1KMT2AALDH1A1POLB
SCHEMBL2094370 0.90 GNRHR (0.47) GNRHRALDH1A1POLBTDP1TSHR
SCHEMBL2094251 0.89 KMT2A (0.47) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL2092135 0.86 GNRHR (0.47) GNRHRMEN1KMT2AALDH1A1POLB
SCHEMBL2095014 0.85 SUV39H2 (0.42)
SCHEMBL2093577 0.83 GNRHR (0.47) GNRHRALDH1A1POLBTDP1TSHR
SCHEMBL2094330 0.81 GNRHR (0.47) GNRHRALDH1A1POLBTDP1TSHR
SCHEMBL2095240 0.81 KDM4E (0.44) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL2095363 0.80 LMNA (0.46) GNRHRKMT2AALDH1A1POLBTDP1
SCHEMBL2093477 0.78 LMNA (0.46) GNRHRKMT2AALDH1A1POLBTDP1

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 GNRHR 4352/4885MEN1 1184/4885KMT2A 4682/4885

“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.