Sugi Predict

Sugi Predict / Compounds / SCHEMBL966895

SCHEMBL966895

SCHEMBL966895

CN1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)[nH]3)c(O)c3ncccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ HRH4 Q9H3N8 6/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL966358 0.91 CALCA (0.42) CALCAKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL966111 0.90 CALCA (0.41) CALCAKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL966862 0.90 HTR6 (0.39) CALCAKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL966030 0.90 GRIA1 (0.41) CALCAKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL966110 0.90 CALCA (0.44) CALCAKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL966016 0.90 SMO (0.43) CALCAKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL967413 0.89 CALCA (0.38) CALCAKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL966710 0.89 TP53 (0.39) CALCAKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL968048 0.89 CFTR (0.41) CALCAKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL967875 0.89 CALCA (0.37) CALCAKDM4EMAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 — — US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 — — US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 — — US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 — — US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 — — US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 — — US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 — — US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 — — US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 — — 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885KDM4E 2029/4885MAPT 1418/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885KDM4E 2029/4885MAPT 1418/4885

“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.