SCHEMBL6957136

SCHEMBL6957136

CC(C)CCNC[C@H]1CCC(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 19/20 0.39
PDCD1LG2 Q9BQ51 12/20 0.39
PDCD1 Q15116 7/20 0.37

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
SCHEMBL21322394 0.83 CD274 (0.40) CD274PDCD1LG2PDCD1
SCHEMBL21322391 0.83 CD274 (0.40) CD274PDCD1LG2PDCD1
SCHEMBL21290762 0.83 CD274 (0.40) CD274PDCD1LG2PDCD1
SCHEMBL21290754 0.81 CD274 (0.40) CD274PDCD1LG2PDCD1
SCHEMBL21290766 0.81 CD274 (0.40) CD274PDCD1LG2PDCD1
SCHEMBL21161985 0.78 CTSD (0.36) CD274PDCD1LG2
SCHEMBL21290617 0.78 CD274 (0.43) CD274PDCD1LG2PDCD1
SCHEMBL21673405 0.78 CD274 (0.43) CD274PDCD1LG2PDCD1
SCHEMBL14269728 0.78 CD274 (0.43) CD274PDCD1LG2PDCD1
SCHEMBL24121619 0.76 GNAI3 (0.46) CD274PDCD1LG2PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 CD274 3475/4885PDCD1LG2 3430/4885PDCD1 3309/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 CD274 3475/4885PDCD1LG2 3430/4885PDCD1 3309/4885

“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.