SCHEMBL2121710

SCHEMBL2121710

OCc1cccc(Nc2nc(Cl)nc(Cl)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 2/20 0.59
▸ SYK P43405 1/20 0.55
▸ TOP2A P11388 1/20 0.52
▸ TOP2B Q02880 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ABL1 P00519 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ APP P05067 2/20 0.45

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
SCHEMBL20820089 0.82 NFKB1 (0.76) NFKB1KMT2AMEN1MAPTMAPK1
SCHEMBL18385064 0.78 NFKB1 (0.65) NFKB1SYKKMT2AMEN1MAPT
SCHEMBL8526184 0.78 NFKB1 (0.69) NFKB1SYKKMT2AMEN1MAPT
SCHEMBL11785913 0.77 NFKB1 (0.55) NFKB1KMT2AMEN1MAPTMAPK1
SCHEMBL12530514 0.76 ABL1 (0.50) NFKB1SYKTOP2ATOP2BABL1
SCHEMBL4547449 0.76 EGFR (0.55) KMT2AMEN1ABL1POLBEGFR
SCHEMBL1024956 0.75 SYK (0.55) SYKTOP2ATOP2BABL1ABCG2
SCHEMBL14184956 0.75 SYK (0.52) NFKB1SYKTOP2ATOP2BMAPT
SCHEMBL23321165 0.75 NFKB1 (1.00) NFKB1KMT2AMEN1MAPTMAPK1
SCHEMBL2874930 0.75 NFKB1 (0.65) NFKB1KMT2AMEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566872-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-12-24 — — EP disclosed
US-8741884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-03 — — US disclosed
EP-2566872-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-03-13 — — EP disclosed
US-20120093767-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 — — US disclosed
WO-2011139513-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 — — WO 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-20120093767-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS NFKB1 2417/4885SYK 2728/4885TOP2A 1394/4885

“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.

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