SCHEMBL16276276

SCHEMBL16276276

CC(C)(C)OC(=O)N1[C@H](c2nc3cc(Br)ccc3c(=O)[nH]2)C[C@@H]2CCCC[C@@H]21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ PARP1 P09874 1/20 0.34
▸ CDK1 P06493 2/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ PTGES O14684 1/20 0.33
▸ HCRTR1 O43613 3/20 0.33
▸ HCRTR2 O43614 3/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.32
▸ CCNB2 O95067 1/20 0.32

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
SCHEMBL16276271 0.92 PARP1 (0.35) CDC7PIM1CSNK2BCSNK2A1PARP1
SCHEMBL19528665 0.88 HCRTR1 (0.37) PARP1CDK1KAT2BHCRTR1HCRTR2
SCHEMBL14134857 0.88 HCRTR1 (0.37) PARP1CDK1KAT2BHCRTR1HCRTR2
SCHEMBL14053254 0.86 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1
SCHEMBL14053253 0.86 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1
SCHEMBL17209421 0.85 CDC7 (0.37) CDC7PIM1CSNK2BCSNK2A1PARP1
SCHEMBL16276267 0.83 TNKS (0.38) PARP1MEN1ALDH1A1KMT2A
SCHEMBL17982733 0.82 PARP1 (0.37) CDC7PIM1CSNK2BCSNK2A1PARP1
SCHEMBL16767494 0.82 CDC7 (0.37) CDC7KAT2BSPR
SCHEMBL17982623 0.81 PARP1 (0.37) CDC7PIM1CSNK2BCSNK2A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382261-B2 Substituted quinazolinones as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-07-05 — — US disclosed
US-9382261-B2 Substituted quinazolinones as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-07-05 — — US disclosed
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 — — US disclosed
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 — — US disclosed
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2014-12-25 — — US disclosed
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2014-12-25 — — US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 — — US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 — — 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 (2 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-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 CDC7 2511/4885PIM1 3017/4885CSNK2B 1341/4885
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS EIF2AK2, NQO2, IRF3 CDC7 1132/4885PIM1 2320/4885CSNK2B 488/4885

“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.

Send feedback