SCHEMBL2065596

SCHEMBL2065596

CC(C)(C)OC(=O)N1C(c2nc3c([nH]2)-c2ccc(Br)cc2CC3)CC2CC21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.35
CDK1 P06493 2/20 0.34
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRA6 Q16445 1/20 0.31
USP30 Q70CQ3 2/20 0.30
ABHD6 Q9BV23 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
CCNB2 O95067 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3B P49841 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL13746544 1.00 TYMS (0.35) TYMSCDK1SRD5A1SRD5A2GABRA1
SCHEMBL2065597 1.00 TYMS (0.35) TYMSCDK1SRD5A1SRD5A2GABRA1
SCHEMBL883262 1.00 TYMS (0.35) TYMSCDK1SRD5A1SRD5A2GABRA1
SCHEMBL12328158 0.91 GPR119 (0.31) GPR119
SCHEMBL16440338 0.88 SPR (0.33) CDK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL21334117 0.88 SPR (0.33) CDK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10234322 0.87 GABRG2 (0.33) TYMSGABRA1GABRG2GABRB3GABRA5
SCHEMBL12295804 0.87 GABRG2 (0.33) TYMSGABRA1GABRG2GABRB3GABRA5
SCHEMBL2066099 0.86 TYMS (0.39) TYMSSRD5A1SRD5A2
SCHEMBL12295799 0.85 GABRA5 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 EP disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TYMS 2963/4885CDK1 1242/4885SRD5A1 2359/4885

“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.