Sugi Predict

Sugi Predict / Compounds / SCHEMBL4146995

SCHEMBL4146995

SCHEMBL4146995

Nc1ccnc2cc(-c3ccc(Br)cc3)nn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.58
▸ ALDH1A1 P00352 9/20 0.58
▸ SMN1; SMN2 Q16637 9/20 0.58
▸ MEN1 O00255 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ KDM4E B2RXH2 7/20 0.58
▸ HPGD P15428 5/20 0.57
▸ LMNA P02545 3/20 0.57
▸ NPC1 O15118 9/20 0.48
▸ RAB9A P51151 9/20 0.48
▸ TP53 P04637 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ GAA P10253 3/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ NFKB1 P19838 1/20 0.41

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
SCHEMBL16863126 0.84 MAPT (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25284514 0.83 NPC1 (0.60) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14542187 0.81 NPC1 (0.63) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16863146 0.80 NPC1 (0.48) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10236226 0.80 NPC1 (0.64) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4154996 0.80 MAPT (0.39) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19783 0.78 NPC1 (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16863103 0.77 CYP2A6 (0.49) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1014904 0.77 HTT (0.60) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4151815 0.75 ALDH1A1 (0.74) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 — — US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 — — US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 — — US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 — — US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 — — US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 — — US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 — — US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 — — US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 — — US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 — — US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 — — US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 — — US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 — — EP disclosed
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 — — WO disclosed
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 — — WO disclosed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 — — WO disclosed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 — — WO disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 — — WO disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 — — WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 — — 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 (4 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E MAPT 3520/4885ALDH1A1 577/4885SMN1; SMN2 4781/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 MAPT 3645/4885ALDH1A1 743/4885SMN1; SMN2 4863/4885
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS MAPT 4610/4885ALDH1A1 1037/4885SMN1; SMN2 1628/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 MAPT 3645/4885ALDH1A1 743/4885SMN1; SMN2 4863/4885

“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.