SCHEMBL16618919

SCHEMBL16618919

Cc1ncn(-c2ncc(F)c3c(C(=O)C(=O)N4CC5C=NN(c6nnnn6-c6ccccc6)C5C4)c[nH]c23)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL16629058 0.84 CYP3A4 (0.46) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL16619020 0.81 CYP3A4 (0.65) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL16618503 0.79 CYP3A4 (0.36) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL14746046 0.77 CYP3A4 (0.62) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL16618711 0.77 CYP3A4 (0.36) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL13139024 0.77 CYP3A4 (0.57) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL3561424 0.76 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL13116923 0.76 CYP2C19 (0.64) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL13116897 0.76 CYP2C19 (0.64) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL13116844 0.75 CYP3A4 (0.71) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 US claimed
WO-2015051230-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2015-04-09 WO claimed
US-9920073-B2 Compositions useful for inhibiting HIV-1 infection and methods using same DREXEL UNIVERSITY (US) 2018-03-20 US disclosed
US-9920073-B2 Compositions useful for inhibiting HIV-1 infection and methods using same DREXEL UNIVERSITY (US) 2018-03-20 US disclosed
US-9920073-B2 Compositions useful for inhibiting HIV-1 infection and methods using same DREXEL UNIVERSITY (US) 2018-03-20 US disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 US disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 US disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 US disclosed
WO-2015051230-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2015-04-09 WO disclosed
WO-2015051230-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2015-04-09 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-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME CCL5, CCR5, CXCL10 CYP3A4 4235/4885CYP1A2 4318/4885CYP2C8 4447/4885

“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.