SCHEMBL16276267

SCHEMBL16276267

O=C(OCc1ccccc1)N1[C@H](c2nc3cc(Br)ccc3c(=O)[nH]2)C[C@@H]2CCCC[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.38
▸ TNKS2 Q9H2K2 2/20 0.38
▸ PARP1 P09874 2/20 0.38
▸ PARP2 Q9UGN5 2/20 0.38
▸ ADRA1D P25100 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRA1B P35368 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ AGTR2 P50052 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PARP14 Q460N5 1/20 0.34
▸ FKBP1A P62942 1/20 0.34

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
SCHEMBL14948408 0.83 AADAT (0.46) TNKSTNKS2PARP1PARP2ADRA1D
SCHEMBL16276276 0.83 CDC7 (0.36) PARP1ALDH1A1MEN1KMT2A
SCHEMBL16276275 0.82 TNKS (0.39) TNKSTNKS2PARP1PARP2HTR2C
SCHEMBL14948522 0.80 HTR2C (0.38) HTR2CTDP1AGTR2FKBP1ASMN1; SMN2
SCHEMBL14948381 0.77 AADAT (0.47) TNKSTNKS2PARP1PARP2
SCHEMBL17676483 0.77 AADAT (0.47) TNKSTNKS2PARP1PARP2
SCHEMBL16276277 0.75 CYP3A4 (0.41) —
SCHEMBL16276271 0.74 PARP1 (0.35) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL18033793 0.73 HCRTR1 (0.37) ALDH1A1KMT2AKDM4EUSP2TSHR
SCHEMBL10232542 0.72 HTR2C (0.36) PARP1ADRA1DADRA1AADRA1BHTR2C

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 TNKS 2817/4885TNKS2 4111/4885PARP1 1160/4885
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS EIF2AK2, NQO2, IRF3 TNKS 1463/4885TNKS2 2951/4885PARP1 1160/4885

“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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