SCHEMBL6957534

SCHEMBL6957534

CC(=O)N1CCN[C@@H](CC(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PRKCQ Q04759 12/20 0.37
PRKCD Q05655 11/20 0.37
PRKCA P17252 8/20 0.37
CHRNB2 P17787 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
CHRNB4 P30926 2/20 0.34
PRKCB P05771 1/20 0.34
FLT3 P36888 1/20 0.34
PRKCE Q02156 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
BIRC2 Q13490 1/20 0.33
PLD2 O14939 1/20 0.33
PLD1 Q13393 1/20 0.33

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
SCHEMBL16178393 0.87 PRKCQ (0.37) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL15826454 0.85 PRKCQ (0.39) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL9651732 0.81 REN (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9650705 0.81 REN (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12642488 0.81 PARP1 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL18150513 0.79 PARP1 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL18150515 0.79 PARP1 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10219114 0.79 NR1H2 (0.40)
SCHEMBL10219117 0.79 NR1H2 (0.40)
SCHEMBL10219116 0.79 NR1H2 (0.40)

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-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 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-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 PIK3CD 797/4885PRKCQ 1389/4885PRKCD 897/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 PIK3CD 797/4885PRKCQ 1389/4885PRKCD 897/4885

“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.