SCHEMBL2123644

SCHEMBL2123644

CC(C)(C)OC(=O)NCCNc1nc(Cl)nc(Nc2cccc(CO)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
MAPT P10636 1/20 0.41
BRD4 O60885 2/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GBA1 P04062 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
ADORA1 P30542 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EGFR P00533 2/20 0.39
ITK Q08881 2/20 0.39
MET P08581 1/20 0.39
NFKB1 P19838 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL17576107 0.87 NPC1 (0.51) BCHEMAPTMEN1KMT2AALDH1A1
SCHEMBL2121307 0.85 CFTR (0.47) BCHEMAPTBRD4ADORA3ADORA2A
SCHEMBL12184282 0.83 BRD4 (0.49) BCHEBRD4ADORA3ADORA2AADORA1
SCHEMBL12084435 0.81 STK17B (0.47) BRD4ADORA2AALDH1A1ADORA1STK17B
SCHEMBL2124035 0.79 BRD4 (0.46) BRD4ADORA2AMEN1KMT2AALDH1A1
SCHEMBL12184281 0.79 BRD4 (0.51) BRD4EGFRMETNFKB1
SCHEMBL17563733 0.78 STK17B (0.51) BCHEBRD4ADORA3ADORA2AMEN1
SCHEMBL13140974 0.78 CDK1 (0.43) BCHEBRD4EGFRITKABCG2
SCHEMBL10081176 0.78 CFTR (0.47) BCHEBRD4MEN1KMT2AEGFR
SCHEMBL17564596 0.77 GAA (0.51) BCHEBRD4ADORA3ADORA2AMEN1

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 BCHE 1696/4885MAPT 4247/4885BRD4 4607/4885

“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.