Sugi Predict

Sugi Predict / Compounds / SCHEMBL6977002

SCHEMBL6977002

SCHEMBL6977002

CC(C)=NOCCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CHRM2 P08172 1/20 0.39

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
SCHEMBL12186271 0.89 HRH3 (0.47) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL17303306 0.86 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1HDAC3HDAC4
SCHEMBL6979246 0.86 GAA (0.43) ALDH1A1KDM4ETDP1HDAC3HDAC4
SCHEMBL6978681 0.82 PSMB1 (0.39) KDM4ETDP1POLB
SCHEMBL6977897 0.82 SYK (0.38) ALDH1A1KDM4ETDP1HDAC3HDAC4
SCHEMBL16838332 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1HDAC3HDAC4
SCHEMBL9975277 0.81 PSMB1 (0.41) ALDH1A1KDM4EHRH3POLB
SCHEMBL6976253 0.81 PAOX (0.39) ALDH1A1KDM4EMEN1KMT2AHRH3
SCHEMBL13151498 0.81 PSMB1 (0.41) ALDH1A1KDM4EHRH3POLB
SCHEMBL19843484 0.80 KEAP1 (0.43) ALDH1A1KDM4ETDP1HDAC3HDAC4

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
EP-1854789-B1 QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2013-10-09 — — EP disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 — — US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 — — US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 — — US disclosed
US-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2011-10-20 — — US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 — — 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 (3 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-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE ABL1, MAP2K5, MAP2K2 ALDH1A1 3485/4885KDM4E 541/4885TDP1 3290/4885
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 ALDH1A1 4593/4885KDM4E 2805/4885TDP1 4067/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 ALDH1A1 4593/4885KDM4E 2805/4885TDP1 4067/4885

“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.