SCHEMBL16615673

SCHEMBL16615673

COc1c2n(cc(C(=O)NCc3c(F)cc(F)cc3F)c1=O)C[C@H]1OCCC[C@@]1(C)C2=O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 15/20 0.57
POU2F2 P09086 5/20 0.42

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
SCHEMBL16615670 0.90 SLC22A2 (0.52) SLC22A2
SCHEMBL16615658 0.90 SLC22A2 (0.52) SLC22A2
SCHEMBL16615407 0.89 SLC22A2 (0.55) SLC22A2POU2F2
SCHEMBL16615689 0.89 SLC22A2 (0.55) SLC22A2POU2F2
SCHEMBL16615576 0.89 SLC22A2 (0.55) SLC22A2POU2F2
SCHEMBL16615498 0.87 SLC22A2 (0.54) SLC22A2POU2F2
SCHEMBL20442202 0.81 SLC22A2 (0.51) SLC22A2
SCHEMBL16615566 0.81 SLC22A2 (0.45) SLC22A2POU2F2
SCHEMBL22473030 0.81 SLC22A2 (0.49) SLC22A2
SCHEMBL22473029 0.81 SLC22A2 (0.49) SLC22A2

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
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-9861620-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-09 US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
WO-2015048363-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-02 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 (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-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 SLC22A2 1836/4885POU2F2 3121/4885
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 SLC22A2 1836/4885POU2F2 3121/4885

“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.