SCHEMBL6960117

SCHEMBL6960117

CC#C/C(=N\OCCN(C)CCOC)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 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
SCHEMBL6955498 0.88
SCHEMBL6958540 0.85
SCHEMBL19121071 0.80 PIK3CD (0.35) PIK3CD
SCHEMBL19120782 0.78 PIK3CD (0.34) PIK3CD
SCHEMBL6977640 0.76 PIK3CD (0.46) PIK3CD
SCHEMBL6959294 0.72 KDM4E (0.30)
SCHEMBL6976162 0.71 PIK3CD (0.42) PIK3CD
SCHEMBL6955888 0.70
SCHEMBL6960089 0.69
SCHEMBL6960674 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951051-B2 Process for producing alkynylketone derivative SHIONOGI & CO., LTD. (JP) 2018-04-24 US disclosed
US-20170197943-A1 PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-13 US disclosed
US-8426589-B2 Process for production of quinazoline derivative SHIONOGI & CO., LTD. (JP) 2013-04-23 US 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 (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-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE ABL1, MAP2K5, MAP2K2 PIK3CD 96/4885
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 PIK3CD 797/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 PIK3CD 797/4885
US-20170197943-A1 PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE PDK4, PDK3, PDK2 PIK3CD 2504/4885

“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.