Sugi Predict

Sugi Predict / Compounds / SCHEMBL5651215

SCHEMBL5651215

SCHEMBL5651215

COCCOc1cc([N+](=O)[O-])c(C#N)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CHEK1 O14757 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SRC P12931 3/20 0.42
▸ GRIA1 P42261 2/20 0.40
▸ GRIA2 P42262 2/20 0.40
▸ GRIA3 P42263 2/20 0.40
▸ GRIA4 P48058 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ GRM6 O15303 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL15365139 1.00 MAPT (0.45) MAPTALDH1A1LMNAMAPK1CHEK1
SCHEMBL482018 0.96 MAPT (0.43) MAPTALDH1A1LMNAMAPK1CHEK1
SCHEMBL15365263 0.92 ALDH1A1 (0.45) MAPTALDH1A1LMNAMAPK1CHEK1
SCHEMBL15365148 0.92 ALDH1A1 (0.45) MAPTALDH1A1LMNAMAPK1CHEK1
SCHEMBL15366047 0.92 ALDH1A1 (0.45) MAPTALDH1A1LMNAMAPK1CHEK1
SCHEMBL2164504 0.88 MAPT (0.41) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL17922740 0.88 ALDH1A1 (0.42) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL2163708 0.88 ALDH1A1 (0.42) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL28397832 0.88 MAPT (0.41) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL29375590 0.88 MAPT (0.41) MAPTALDH1A1LMNAMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916572-B2 Bis-quinazoline derivatives as inhibitors for epidermal growth factor receptor (EGFR) tyrosine kinase Tetranov International Inc. (US) 2014-12-23 — — US disclosed
US-8916572-B2 Bis-quinazoline derivatives as inhibitors for epidermal growth factor receptor (EGFR) tyrosine kinase Tetranov International Inc. (US) 2014-12-23 — — US disclosed
US-20130296348-A1 Bis-Quinazoline Derivatives as Inhibitors for Epidermal Growth Factor Receptor (EGFR) Tyrosine Kinase Tetranov International, Inc (US) 2013-11-07 — — US disclosed
US-20130296348-A1 Bis-Quinazoline Derivatives as Inhibitors for Epidermal Growth Factor Receptor (EGFR) Tyrosine Kinase Tetranov International, Inc (US) 2013-11-07 — — US disclosed
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 — — US disclosed
WO-2005115145-A2 QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS WYETH (US) 2005-12-08 — — 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-20130296348-A1 Bis-Quinazoline Derivatives as Inhibitors for Epidermal Growth Factor Receptor (EGFR) Tyrosine Kinase ERBB2, EGFR, ERBB4 MAPT 2083/4885ALDH1A1 4448/4885LMNA 4089/4885
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 MAPT 3931/4885ALDH1A1 530/4885LMNA 4176/4885

“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.